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MATERIALS FOR ENERGY

A

Materials for energy application

A symposium dedicated to the wide range of materials with a focused application in the field of renewable and sustainable energy, is much needed which can connect the theory and experimental outcome spontaneously. Our symposium will be one such attempt in the field of energy research.

Scope:

Due to simple covalent bonding, carbon shows vivid properties, which can be manifested into the energy applications through different dimensionality like carbon quantum dots, fullerene, carbon nanotubes, two- dimensional graphene and Diamond. They all have enormous applications in the filed of solar cells, catalysis, battery technology and hydrogen storage. The ongoing feedback between the experiment and theory concerning energy harvesting opens up new direction of scientific thrust not only in the carbon based systems, but also materials that are attaining interesting electronic, structural, optical and transport properties in order to be applied for sustainable energy resolution. Materials modelling have become equally important along with the experimental investigation to predict such properties, which can be tuned in for different energy applications in the area mentioned above. This is because the atomistic insight of a material is one of the intuitive reasons behind its different properties and this insight we can derive from electronic structure of different materials. Our symposium will not only be limited to carbon materials, but also all other novel materials that have attracted the focus of the scientific community in the vast field of energy materials. The applications of such materials will be having a broad view in the area of solar cell, photocatalytic water splitting, battery, hydrogen storage and fuel cells. Scientists doing their research in all the above area will be a getting a common platform to showcase their latest findings, which all will be attached through a common string named Energy. The symposium will be a mixture of theory and experiments with a strong view of bridging the gap between them. The choice of materials is having a wide range from oxide materials to recently synthesized transition metal di-chalcogenides and dimension-wise they can be in bulk, surface, monolayer phase or in form of hetero-structures and nano-composits.

The following topics both in the field of Theory and Experiments will be covered:

  • Carbon materials of different dimensionalities – present and next generation
  • Application of Diamond in Energy Research
  • Oxide materials and their application in energy research
  • Two-dimensional materials for energy production and storage
  • Perovskite based materials for solar cell 
  • Photocatalytic materials for hydrogen production
  • Novel materials for enhance battery performance
  • Heterostructured nano-materials and nanocomposits
  • Materials For Li  and Na ion as well for Organic Battery
  • Novel Materials for supercapacitor

Confirmed invited speakers:

  • Michael Nolan, Tyndall National Institute, Cork, Ireland
  • Mariko Matsunaga , Chuo University, Japan
  • Kevin Sivula, EPFL - Ecole polytechnique fédérale de Lausanne, Switzerland
  • Marketa Zukalova, J.Heyrovsky Institute of Physical Chemistry, Czech Republic
  • Howon Jang, Seoul National University, South Korea
  • Eva Majkova, Institute of Physics SAS, Bratislava, Slovakia
  • Craig Fisher, Japan Fine Ceramics Center, Japan
  • Zhong Lin (Z.L.) Wang, Chief Editor of NanoEnergy & Georgia Institute of Technology, Atlanta GA, USA
  • Christian Anders, Empa, Switzerland
  • Petra E. de Jongh, Utrecht University, The Netherlands
  • Martin Wilkening, Graz University of Technology, Austria
  • Raphaël Janot, Université de Picardie Jules Verne, France
  • Udo Schwingenschloegl, KAUST, Saudi Arabia
  • Robert Dominko, National Institute of Chemistry, Laboratory for Materials Electrochemistry, Slovenia
  • Amit Bhatnagar,  University of Eastern Finland, Finland
  • Savitha Thayumanasundaram, University of Leuven, Belgium
  • Won-Sub Yoon, Sungkyunkwan University, South Korea
  • Alexander Colsmann, Karlsruhe Institute of Technology (KIT), Germany
  • Ladislav Kavan, J. Heyrovsky Institute of Physical Chemistry, Czech Republic
  • Jeha Kim, Cheongju University, South Korea
  • Biswarup Pathak, Indian Institute of Technology, Indore, India
  • Anja Bieberle-Hütter, Dutch Institute for Fundamental Energy Research (DIFFER), The Netherlands
  • Anders Hagfeldt, EPFL,  Lausanne, Switzerland
  • Håkan Rensmo, Uppsala University, Sweden
  • Laurent Duda, Uppsala University, Sweden
  • Yaoqing Zhang, Nature Communications, Nature Research, Springer Nature, UK
  • Iwona Kowalik, Institute of Physics, Polish Academy of Sciences, Poland
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09:00
Authors : Anders Hagfeldt
Affiliations : Laboratory of Photomolecular Science, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015, Lausanne, Switzerland

Resume : In our work on solid-state dye-sensitized solar cells (ssDSSC) we have recently shown that copper phenanthroline complexes can act as an efficient hole transporting material. We prepared ssDSCs with a novel organic dye WS-72 and [Cu(tmby)2]2+/+ as redox system and achieved record power conversion efficiencies for ssDSCs of 11.7%. Our best DSC efficiency of 13.1% for a liquid Cu-complex electrolyte is achieved by the discovery that the PEDOT based counter electrode can be directly contacted with the dye/TiO2 photoelectrode. Thus, there is no space between the two electrodes minimizing diffusion limitations and fill factors up to 0.8 is achieved. In our work on perovskite solar cells (PSC) we have achieved efficiencies above 22% with a mixed composition of iodide/bromide and organic and inorganic cations. With the use of SnO2 compact underlayers as electron acceptor contacts we have constructed planar perovskite solar cells with a hysteresis free efficiency above 20%. Through the compositional engieneering larger preovskite grains grown in a monolithic manner are observed and reproducibility and device stability are improved. With regards to lifetime testing, we have shown a promising stability at 85 oC for 500 h under full solar illumination and maximum power point tracking (95% of the initial performance was retained). Recently, we have also commented on the standardization of PSC aging tests.

A..1
09:30
Authors : Ladislav Kavan
Affiliations : J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejskova 3, CZ-18223 Prague 8, Czech Republic.

Resume : The position of conduction band (CB) maximum controls the reductive photocatalytic reactions (e.g. hydrogen evolution from water or CO2 reduction) and recombination blocking in perovskite solar cells (PSC). There is some controversy about the position of CB in TiO2 (anatase, rutile, including the crystals with distinguished facets) which can be rationalized by taking into account the adsorption of OH– and H+ ions from the electrolyte solution. The facet specific electrochemistry of water splitting on TiO2 is addressing both the CB position and the electrocatalytic activity of the relevant crystal face. The compact thin films from TiO2 or SnO2 are useful for negative, i.e. electron-selective electrodes in PSC. They can be grown by variety of chemical deposition techniques such as atomic layer deposition, chemical solution deposition, spray-pyrolysis deposition or electrochemical deposition. Electrochemical techniques, including electrochemical impedance spectroscopy are particularly suitable for testing of the films’ quality. Another key input for application in PSC is the engineering of the of conduction-band edge position through tuning of the films’ materials. Amorphous SnO2 films are pinhole-free for thicknesses down to 2 nm. This allows photoelectrode design with even thinner electron selective layers in PSC, thus minimizing resistance losses. Oxide materials, like TiO2 and SnO2 are traditionally regarded semiconductors. Doping of SnO2 by F- or Sb5+ provides the quasi-metallic (degenerate semiconductor) material, but little is known about similar doping-induced behavior of TiO2. We have recently found purely metal-like electrochemical properties of Ta-doped, optically transparent thin films of TiO2 (anatase) made by pulsed-laser deposition. The quasi-metallic TiO2 films surprisingly show significant UV-photocurrent of water oxidation, and retain rectifying function for redox couples with highly positive electrochemical potentials. Acknowledgement: This work was supported by the Czech Science Foundation grant No. 18-08959S.

A..2
10:00
Authors : Håkan Rensmo
Affiliations : Molecular and Condensed Matter Physics, Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala, Sweden

Resume : The last couple of years has witnessed an unexpectedly development of perovskite materials used as a next generation energy materials for optoelectronic applications [1,2]. In the earliest devices CH3NH3PbI3 was used. More recent record-breaking cells contain a large variety of cations including Cs, Rb, formamidinium and anions (Br, I). The efficiency of the conversion process in these systems is largely dependent on the properties of the interfacial region including material organisation, character of the energy levels as well as on energy matching between the different materials. Experimental atomistic insight into such material properties is therefore crucial in order to understand and optimize the function. Photoelectron -spectroscopy is an ideal tool for non-destructive chemical and electronic characterization of such interfaces and our group is in the forefront of developing such x-ray based spectroscopy techniques and implementing them to investigations on energy materials. Specifically, the presentation will show how to get an understanding of the interface structure and energy matching the perovskite materials and how conditions (humidity, light and voltage) effect the structure. [3-5] References [1] S. D. Stranks, H. J. Snaith, Nat Nanotechnol 2015, 10 (5), 391. [2] NREL Best Research-Cell Efficiencies. www.nrel.gov/pv/assets/images/efficiency_chart.jpg. [3] B. Philippe et al. Chem Mater. 2015;27(5):1720 [4] U.B. Cappel et al. Phys Chem Chem Phys 2016, 18 (31), 21921. [5] U.B. Cappel et al. Acs Appl Mater Inter. 2017;9(40):34970

A..3
11:00
Authors : A. Bieberle-Hütter, Y. Zhao, S. Balasubramanyam, R. Kishore, X. Cao, X. Zhang, R. Sinha, R. Lavrijsen, A. A. Bol
Affiliations : A. Bieberle-Hütter, DIFFER, Eindhoven, the Netherlands; Y. Zhao, DIFFER, Eindhoven, the Netherlands; S. Balasubramanyam, Applied Physics, Eindhoven, the Netherlands; R. Kishore, DIFFER, Eindhoven, the Netherlands; X. Cao, CSER, TU/e, Eindhoven, the Netherlands; X. Zhang, DIFFER, Eindhoven, the Netherlands; R. Sinha, DIFFER, Eindhoven, the Netherlands; R. Lavrijsen, Applied Physics, Eindhoven, the Netherlands; A. A. Bol, Applied Physics, Eindhoven, the Netherlands.

Resume : Tungsten oxide (WO3) is a promising material for photo-electrochemical water splitting due to its high electron mobility (~12 cm2V-1s-1 at RT), suitable band-gap (2.6-2.9 eV) and good chemical stability [1,2]. However, the conversion efficiency of the reported WO3 photoanodes is still far below its theoretical value of 6.3%. This is attributed to low light harvesting efficiency and its high electron-hole recombination rate. Defects play a crucial role to overcome these limitations. In this study, we show how thin film deposition techniques (sputtering and atomic layer deposition) and further materials processing (annealing) allow to tune physical and chemical defects in WO3 thin films and how these impact the photo-electrochemical properties [3]. We relate these experimental results to Density Functional Theory calculations on WO3 surfaces which also demonstrated significant impact of defects (oxygen vacancies) on the electrochemical activity of WO3 [4]. Our results demonstrate the importance of defects on the performance of photoelectrodes and how targeted processing in combination with computational investigations can optimize towards significantly higher performance. [1] Q. Mi, A. Zhanaidarova, B. S. Brunschwig, H. B. Gray and N. S. Lewis, Energy Environ. Sci. 5 (2012) 5694. [2] T. Zhu, M. N. Chong, E. S. Chan, ChemSusChem 7 (2014) 2974. [3] Y. Zhao, S. Balasubramanyam, R. Sinha, R. Lavrijsen, A. A. Bol, A. Bieberle-Hütter, submitted to ACS Applied Materials & Interfaces (2018). [4] R. Kishore, X. Cao, X. Zhang, A. Bieberle-Hütter, Catalysis Today (2018) in press.

A..4
11:30
Authors : Kevin Sivula
Affiliations : Laboratory for Molecular Engineering of Optoelectronic Nanomaterials (LIMNO), Ecole polytechnique fédérale de Lausanne (EPFL)

Resume : The development of robust and inexpensive semiconducting materials that operate at high efficiency are needed to make the direct solar-to-fuel energy conversion by photoelectrochemical cells economically viable. In this presentation our laboratory’s progress in the development new light absorbing materials and co-catalysts will be discussed along with the application toward overall solar water splitting tandem cells for H2 production. Specifically, this talk will highlight recent results with the ternary oxides (CuFeO2 and ZnFe2O4) 2D transition metal dichalcogenides, and organic (π-conjugated) semiconductors as solution-processed photoelectrodes. With respect to ternary oxides, in our recent work [1,2] we demonstrate state-of-the-art photocurrent with optimized nanostructuring and address interfacial recombination by the electrochemical characterization of the surface states and attached co-catalysts. In addition, we report an advance in the performance of solution processed two-dimensional (2-D) WSe2 for high-efficiency solar water reduction by gaining insight into charge transport and recombination by varying the 2D flake size[3]and passivating defect sites[4]. Finally, with respect to π-conjugated organic semiconductors, in our recent work [5] we demonstrate a π-conjugated organic semiconductor for the sustained direct solar water oxidation reaction. Aspects of catalysis and charge-carrier separation/transport are discussed. [1] Prevot, M. S.; Li, Y.; Guijarro, N.; Sivula, K. J. Mater. Chem. A 2016, 4, 3018-3026. [2] Guijarro, N.; Bornoz, P.; Prevot, M.; Yu, X.; Zhu, X.; Johnson, M.; Jeanbourquin, X.; Le Formal, F.; Sivula, K., Sustainable Energy Fuels 2018, 2, 103-117. [3] Yu, X.; Sivula, K., Chem. Mater. 2017, 29, 6863-6875. [4] Yu, X.; Guijarro, N.; Johnson, M.; Sivula, K. Nano Lett. 2018, 18, 215-222. [5] Bornoz, P.; Prévot, M. S.; Yu, X.; Guijarro, N.; Sivula, K. J. Am. Chem. Soc. 2015, 137, 15338.

A..5
12:00
Authors : Torben Damgaard Nielsen
Affiliations : Sales Director Europe EMEA

Resume : Materials.Zone provides data infrastructure for novel data management in materials science. By researchers for research Materials.Zone strive to accelerate materials innovation to unprecedented levels optimizing research using machine learning, big data and AI as an integrated method in the research process. By digging into the long tail of science, the unpublished data, Materials.Zone aims at creating one global database and collaboration platform for materials scientists. The ambition is to reduce repetitive research and collect all existing and new data in a common collaborative database to advance materials science. The database rests on a blockchain promoting trust and data security through smart contracts with the ambition that academics and industry can work more openly together sharing data while maintaining IP control and rights under the immutable IP system. The Materials.Zone lab notebook couples with a data trade platform to exchange between data holders and data seekers. Overall the system saves costs and time - an initial case study on rust based PV shows machine and human time reduction of upwards of 85% using machine learning – as well as promotes collaboration, accelerates and optimizes the research process and meets the need for data management called for by EU and funding agencies. A presentation of vision and system is conducted.

A..0
12:15
Authors : Adeline Miquelot1, Myrto Despotopoulou1, Emmanouil Soulos2, Larisa Predel3, Olivier Debieu1, Stéphanie Roualdes2, Vincent Rouessac2, Christina Villeneuve3, Nathalie Prud'homme4, Jérémy Cure5, Constantin Vahlas1
Affiliations : 1Cirimat, Université de Toulouse, Toulouse, 2IEM, Université de Montpellier, Montpellier, 3Laplace, Université de Toulouse, Toulouse, 4ICMMO, Université Paris Sud, CNRS, Université Paris-Saclay, Orsay, 5LAAS, CNRS, Université de Toulouse, Toulouse, France

Resume : Hydrogen can be produced by water splitting in a photo-electrochemical cell (PEC) through solar absorption in a redox reaction. In this project, we investigate the novel approach of a p-Co3O4/n-TiO2 heterojunction as the PEC photo-anode, where both layers are processed by metalorganic chemical vapor deposition, MOCVD. The UV light efficient TiO2 PEC photo-anode is improved by the addition of the lower band-gap Co3O4 layer by broadening the spectral photocatalytic efficiency to the visible spectrum. Moreover, the TiO2/Co3O4 bi-layer stack forms a p-n heterojunction that enhances excitons creation, charges separation, and extend their lifetimes. The presentation will first focus on the investigation on the electric and opto-electronic properties of the first layer, TiO2, as a function of its microstructure which in turn is monitored by the deposition temperature (Td). The increase of Td modifies the microstructure, from dense to columnar, with an evolution of intrinsic mechanical strains. Concurrently with these changes, electrons current of this n-type layer decreases, while its optical band-gap increases. In parallel, the catalytic property in water photodissociation of TiO2 single layer is confirmed by following its H2 production under solar simulator light i.e. UV-visible light. An analogous impact of Td on the microstructure of the MOCVD Co3O4 films is observed, and the resulting electric and opto-electronic properties are currently under investigation. Early results show that UV-visible spectra are similar to the literature. Hydrogen production of the Co3O4/TiO2 photo-anode is evaluated and compared to the performance of TiO2 single films to reveal the added value of the p/n heterojunction on photocatalysis properties.

A..7
12:30
Authors : A.C. Lopes, J. Gutierrez, J.M.Barandiaran
Affiliations : A.C. Lopes; J. Gutierrez; J.M.Barandiaran BCMaterials, Bizkaia Science and Technology Park, E-48160 Derio, Spain J. Gutierrez; J.M.Barandiaran Faculty of Science and Technology, University of the Basque Country (UPV/EHU) E-48080 Bilbao, Spain

Resume : Poly(vinilidene fluoride), PVDF, and its copolymers present the best piezoelectric properties among the restricted number of piezoelectric polymers [1]. However, its crystallization in the piezoelectric β-phase requires the stress ratio of α-PVDF sample at a temperature of 80 ºC[2]. Such process limits the production of the film to a flat form and avoids its printing. The production of neat PVDF directly from the melt in the β-phase would represent a huge advance in the area of piezoelectric polymers and lead to an enormous spread of their applications. In this work, a flexible and light film of neat PVDF in the β-phase has been produced, directly from the melt, in the non-flat form that can also be printable. The hydrophilic ionic liquid, C2mim BF4 and C2mim Cl were used to induce the crystallization of PVDF in the piezoelectric β-phase by melt. Since the filler is water soluble, it can be removed by washing. 10%wt of ionic liquid is enough to totally induce the crystallization in the piezoelectric β-phase. The introduction of the film in warm water by one hour is enough to completely remove the ionic liquid, what was proved by FTIR. The spherulitic structure, the crystallinity and the degradation temperature is not affected by the previous introduction of ionic liquid. For the first time, a 3D shape film of a neat PVDF in the β-phase was produced. Besides its simplicity, this method is also cheap and ecologically viable, since the IL retained in water can be recovered by distillation, and reused.

A..8
12:45
Authors : Jean Marie Vianney Nsanzimana, Yeucheng Peng, Vikas Reddu, and Xin Wang*
Affiliations : NANYANG TECHNOLOGICAL UNIVERSITY, SCHOOL OF CHEMICAL AND BIOMEDICAL ENGINEERING

Resume : Hydrogen production with high purity through water splitting has been proved to be a potential energy technology but requires highly efficient, low cost, and robust electrocatalysts. Herein, a tungsten–nickel/nickel foam hybrid is prepared by a facile method and exhibits an outstanding hydrogen evolution reaction activity and a remarkable stability in alkaline solution. It only requires an overpotential of 36 mV to afford the current density of 10 mA cm–2 with a small Tafel slope of 43 mV dec–1. Owing to the excellent electrocatalytic performance arising from the synergistic effect of binary tungsten–nickel interacting through the d-orbital electron transfer, the as-prepared material is the best among tungsten-based HER electrocatalysts. The lower adsorption energy of water molecules and a small Gibbs free energy of hydrogen adsorption (0.17 eV) on tungsten atoms of WNi (111) from DFT calculations reveal the favorable water electrolysis kinetics. Moreover, the simple preparation strategy can be extended to the design of other active materials for clean energy technology applications and beyond.

A..9
14:00
Authors : Jean-Marcel Ateba Mba, Iztok Arcon, Gregor Mali, Robert Dominko
Affiliations : National institute of Chemistry, Hajdrihova 19, SI-1000 Ljubljana, Slovenia; University of Nova Gorica, Vipavska 13, 5000 Nova Gorica, Slovenia; University of Ljubljana, Večna pot 117, SI-1000 Ljubljana, Slovenia; ALISTORE-ERI, FR3104, 80039 Amiens cedex, France;

Resume : Oxyfluorides are gaining a lot of attraction due to higher energy density as a consequence of higher operating voltages vs. Li and higher capacity compared to non-fluorinated oxides. Both improvements are related to increased iconicity of the M–(O,F) bonds. As an example, Li2VO2F exhibits a potential of 2.7 V vs. Li which is 200 mV higher than for Li2VO3 [1-3]. Moreover oxyfluorides have at least doubled theoretical capacity compared to some cathode materials which are currently used in the commercial batteries. Different types of lithium rich oxyfluorides can be synthesized. In this contribution our focus was on synthesis, structural and electrochemical characterization of other analogous phases of Li2VO2F such as Li2FeO2F and Li2TiO2F. Firstly, Li2MIIIO2F (with M = Ti or Fe) materials were synthesized by via high energetically ball milling and latter we obtained both materials also by using ceramic route. The prepared materials crystalizes in FCC (Space group N° 225) crystal structure which can be described as a layered phase, in which lithium and the transition metal cations segregate into layers in the cubic (111) direction. The mechanism by which energy is stored in these materials is different to well-known lithium storage into a stable host. Instead of that, lithium ions are populating and vacating lattice sites of the material itself [1,2]. This new principle leads to unprecedented higher energy and higher power density compared to other battery materials. As results, large amounts of energy and power can be stored and/or supplied from small spaces. [1] R. Chen, S. Ren, M. Knapp, D. Wang, R. Witter, M. Fichtner, and H. Hahn, “Disordered lithium-rich oxyfluoride as a stable host for enhanced Li+ intercalation storage,” Adv. Energy Mater., vol. 5, no. 9, 2015. [2] R. Chen, S. Ren, M. Yavuz, A. A. Guda, V. Shapovalov, R. Witter, M. Fichtner, and H. Hahn, “Li + intercalation in isostructural Li2VO3 and Li2VO2F with O2− and mixed O2− /F − anions,” Phys. Chem. Chem. Phys., vol. 17, no. 26, pp. 17288–17295, 2015. [3] V. Pralong, V. Gopal, V. Caignaert, V. Duffort, and B. Raveau, “Lithium-rich rock-salt-type vanadate as energy storage cathode: Li2-xVO3,” Chem. Mater., vol. 24, no. 1, pp. 12–14, 2012. Acknowledgement: This work has received funding from the European Union‘s Horizon 2020 research and innovation program under Grant Agreement No 711792 (LiRichFCC) and from the Slovenian Research Agency research program P2-0393.

A..10
14:30
Authors : Laurent-C. Duda
Affiliations : Uppsala University, Department of Physics and Astronomy, Box 516, 751 20 Uppsala,Sweden

Resume : Cathodes are typically the bottleneck for further increasing energy capacity of rechargeable batteries, wherein metal redox reactions of the cathodes have long been the state of the art of energy storage devices for e.g. portable electronics. However, certain Li rich transition metal oxides used as cathodes, e.g. Li1.2[Ni0.13Co0.13Mn0.54]O2, have shown unexpected extra capacity, surpassing the limits of what metal redox reactions alone would permit. Recently, there has been evidence that the extra capacity is due to reversible oxygen redox reactions. Utilizing such anionic redox reactions could be a path for increasing energy capacity in future technology if they can be stabilized alongside the cathodic redox processes. Resonant inelastic x-ray scattering (RIXS) is a powerful technique to gain a better understanding of underlying chemical processes at an atomic level, especially in such multi-atomic compounds. RIXS allows to map the presence and extent of redox reactions at each atomic species and can disentangle the contributions of the anionic from the cathodic reactions. In this presentation, I will show and discuss recent results from RIXS experiments on a number of promising battery cathodes.

A..11
15:00
Authors : Mihui Park, Chaoping Liang, Daniel Adjei Agyeman, Kyeongjae Cho, Yong-Mook Kang
Affiliations : Mihui Park, Daniel Adjei Agyeman, Yong-Mook Kang Department of Energy and Materials Engineering, Dongguk University-Seoul, 04620 Seoul, Republic of Korea. Chaoping Liang, Kyeongjae Cho Department of Materials Science and Engineering and Department of Physics, University of Texas at Dallas, Richardson, 75080 Texas, United States

Resume : Palladium-copper (PdCu) alloys have two representative crystal structures; one is body-centered cubic (bcc), the other is face-centered cubic (fcc) even though both Pd and Cu originally have fcc crystal. The fcc PdCu alloys have disordered structure within which Pd and Cu have solid-solution in fcc lattice, whereas the bcc PdCu alloys have ordered structure which consists of alternative layers with either Pd or Cu atoms. In particular, bcc PdCu alloys have shown superior performance to fcc PdCu alloys since the unique ordered structure of bcc has isolated Pd on the surface. Most of bcc PdCu alloys have been synthesized for structural transformation by annealing or seed-growth method of fcc PdCu alloys with inevitable grain growth, uneven surface structure and particle size distribution. Despite these limitations, the Pd on the bcc surface which is provided charge flow from Cu serves as an active site for catalytic reaction, which is highly favorable for lithium-oxygen battery. However, the same size of fcc and bcc PdCu alloys is quite difficult to be obtained since the crystallites larger than 20 nm favor the ordered bcc structure with lower symmetry. Thus, bcc PdCu alloys in nanoscale have been rarely reported, consequently fcc and bcc PdCu nanoparticles (NPs) have never been properly compared until now. In this study, we successfully synthesize fcc and bcc PdCu alloys in nanoscale through precisely adjusting the driving force for reducing organometallic complex. The bcc PdCu NPs with higher surface energy govern the growth thermodynamics of discharge product and greatly improved battery performance based on density functional theory calculation and experimental proof. This study provides critical descriptor on material design in the perspective of modulating surface structure via crystal structure to tune its intrinsic properties.

A..12
15:15
Authors : Florian Zoller, Kristina Peters, Peter M. Zehetmaier, Patrick Zeller, Markus Döblinger, Thomas Bein, Zdeněk Sofer, Dina Fattakhova-Rohlfing
Affiliations : Florian Zoller: Department of Chemistry and Center for NanoScience (CeNS), Ludwig-Maximilians-Universität München (LMU Munich), Butenandtstrasse 5-13 (E), 81377 Munich, Germany, Faculty of Engineering and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, Lotharstraße 1, 47057 Duisburg, Germany, Kristina Peters; Peter M. Zehetmaier; Patrick Zeller; Markus Döblinger; Thomas Bein: Department of Chemistry and Center for NanoScience (CeNS), Ludwig-Maximilians-Universität München (LMU Munich), Butenandtstrasse 5-13 (E), 81377 Munich, Germany Zdeněk Sofer: Department of Inorganic Chemistry, University of Chemistry and Technology, Technická 5, 166 28 Prague, Czech Republic Dina Fattakhova-Rohlfing: Faculty of Engineering and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, Lotharstraße 1, 47057 Duisburg, Germany, Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research (IEK-1) Materials Synthesis and Processing, Wilhelm-Johnen-Straße, 52425 Jülich, Germany

Resume : Lithium-ion batteries represent the most advanced electrochemical energy storage technology. Still, there is an ever increasing need for batteries with significantly higher energy densities and faster charging rates. An intensively explored way to increase the storage capacity is the replacement of insertion-type electrodes by alloying/de-alloying or conversion-type materials such as SnO2 with specific capacity of up to 1494 mAh g-1. The high capacities are however reached only at low charging rates with a rapid decay at faster rates, which is attributed to the significant structural changes as well as resistances arising from the low conductivity of tin oxide. We present a novel strategy to obtain SnO2 based electrodes with a very high gravimetric capacity and drastically improved rate performance and cycling stability. Using a microwave assisted synthesis, we grow antimony-doped tin oxide (ATO) nanoparticles with sizes below 3 nm on the surface of graphene, providing a composite anode material with a high electric conductivity and high structural stability. The composites feature gravimetric capacity of 1186 mAh g-1 at 1C and still a high capacity of 577 mAh g-1 at 60C, which is the highest ever reported capacity at such a high C-rate. The extremely high rate capability, simple one-step fabrication and low cost of the nanocomposites render them attractive ultrafast high capacity anodes for lithium ion batteries.[1] References: [1] F. Zoller, K. Peters, P. M. Zehetmaier, P. Zeller, M. Döblinger, T. Bein, Z. Sofer, D. Fattakhova Rohlfing, Adv. Funct. Mater (2018), DOI: 10.1002/adfm.201706529.

A..13
16:00
Authors : Udo Schwingenschlogl
Affiliations : King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia

Resume : The presentation gives an overview of ab-initio calculations addressing the thermoelectric performance of MXenes. Specific examples include a comparison of Ti2CO2, Zr2CO2, and Hf2CO2 in order to evaluate the role of the metal atom. The lattice thermal conductivity is demonstrated to grow along the series Ti-Zr-Hf in the temperature range 300-700 K, resulting in the highest figure of merit in the case of Ti2CO2. Flat conduction bands promote the thermopower in the case of n-doping. Functionalization effects are studied for Sc2C, which is semiconducting for various functional groups, including O, F, and OH. The lowest lattice thermal conductivity is found for OH functionalization. Despite a relatively low thermopower, Sc2C(OH)2 therefore and due to a high electrical conductivity can be interesting for intermediate-temperature thermoelectric applications. We also discuss results on heterostructures built of MXenes and transition metal dichalcogenide monolayers. Low frequency optical phonons are found to occur as a consequence of the van der Waals bonding. They contribute significantly to the thermal transport and compensate for reduced contributions of the acoustic phonons (strong scattering in heterostructures), such that the thermal conductivities become similar to those of the constituent MXenes.

A..14
16:30
Authors : Savitha Thayumanasundaram
Affiliations : Department of Physics and Astronomy, KU Leuven

Resume : Lithium rechargeable batteries with improved energy density, low cost, and enhanced safety are necessary to electrify the long-range, high-utilization transportation sectors. Even though major efforts are directed towards the search for new electrode materials, the electrolyte remains a crucial component. In our group, we have developed several polymer electrolytes based on different strategies: i) ionic liquid (IL) doped polymer membranes to improve electrochemical stability ii) polyelectrolytes to enhance ionic conductivity iii) gel polymer electrolytes for flexible batteries. Semi-crystalline polymers such as Poly(vinyl alcohol) (PVA), Poly acrylic acid (PAA) which have excellent chemical resistance, environmentally benign nature, and good film-formation properties have been used as polymer matrix. Ionic liquids are well known for their non-flammability, low vapour pressure and electrochemical stability against Li metal. We have studied polymer electrolytes doped with ILs based on pyrrolidinium and pipieridinium cations and bis(trifluoromethanesulfonyl)imide (TFSI) anions. The thermal, chemical, mechanical and structural properties of the prepared polymer electrolytes have been studied by different characterization techniques. The PVA-PAA polymer electrolytes doped with pyrrolidinium IL are electrochemically stable up to 5 V vs. Li metal. Galvanostatic charge-discharge studies of these polymer electrolytes were performed by assembling coin type cells with these membranes as the electrolyte, conventional cathodes such as LiCoO2 and LiFePO4, and Li metal as the anode. These cells deliver a capacity of about 110 mAh/g for LiCoO2 as cathode and 180 mAh/g for LiFePO4 cathode.

A..15
17:00
Authors : İlker Demiroglu, Oğuz Gülseren, François M. Peeters, Deniz Çakır, Cem Sevik
Affiliations : Department of Mechanical Engineering, Faculty of Engineering, Anadolu University, Eskisehir, TR 26555, Turkey; Department of Physics, Bilkent University, Ankara 06800, Bilkent, Turkey; Department of Physics, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerpen, Belgium; Department of Physics and Astrophysics, University of North Dakota, Grand Forks, North Dakota 58202, USA

Resume : Two dimensional (2D) materials are very promising structures for battery applications since their high surface area and capability of higher charging rates as metal ions do not need to diffuse in a 3D lattice. Hence, interest on electrochemical energy storage applications of 2D materials are growing rapidly. However, most of the theoretical and experimental work have been focused on single type of 2D materials, which has the disadvantage of fading device performance due to restacking during the cycling process. Heterostructures of 2D materials are the new direction to get over this shortcome as well as to increase the device performance with the benefit from a synergy between different materials [1-3]. In addition, heterostructures are promising for ion battery applications other than lithium, as the adjustable interlayer distance may accommodate much larger and multivalent ions. MXenes, as the newest family (2014) of 2D materials, offer great potential in a wide range of technological applications including alkali-ion battery. MXenes (Mn+1Cn Tx) offer unusual combination of conductivity and hydrophilicity, and attractive electrochemical properties since the presence of a metal carbide core (Mn+1Cn) together with termination groups (Tx). In this study, by combining superior properties of MXenes with outstanding electrical conductivity of graphene, we explored its potential in battery applications. Following our previous study [3], we have considered only OH terminated Sc2C, and O terminated Ti2C and V2C MXene systems and we investigated the adsorption energies and diffusion energy barriers of alkali metals (Na, K, and Ca) on top of these systems with increasing coverage. Our results show that the Ti2C and V2C MXene systems are appropriate for battery applications in terms of adsorption energies whereas for Sc2C adsorption of alkali atoms are not favoured with respect to their bulk formation energies. As the coverage increases, adsorption of alkali metals is still favoured up to full coverage for both Ti2C and V2C MXene systems. The decrease in average adsorption energy per alkali atom is higher for V2C system than Ti2C as the coverage increases. When we compare the alkali ions, Ca has the strongest adsorption strength to the heterostructures, however its average adsorption energy decreases more than Na and K atoms as the concentration increases due to its larger size. The diffusion energy barriers are found to be comparable with those of Li atom, which hints the potential applicability of these heterostructure systems for battery applications other than Li atom. For practical battery applications a balance between the storage capacity and kinetics is needed and our results show that especially Ti2C/graphene heterostructure offers a compromise between capacity and kinetics due to the low diffusion energy barriers and strong Na and Ca binding strenths. We acknowledge the support from the TUBITAK (Grant No. 116F080). [1] X. Wang et al., Chem. Soc. Rev., 45, 4042, (2016) [2] E. Pomerantseva and Y. Gogotsi, Nature Energy, 2, 17089, (2017) [3] Y. Aierkan et al., J. Mater. Chem. A, 6, 2337, (2018)

A..16
17:15
Authors : Adriana Castillo, Saïd Yagoubi, Olivier Rapaud, Nicolas Pradeilles, Florence Porcher, Eddy Foy, Thibault Charpentier, Hicham Khodja
Affiliations : NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France; NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France; IRCER, UMR CNRS 7315, 12 rue Atlantis, 87068 Limoges Cedex, France; IRCER, UMR CNRS 7315, 12 rue Atlantis, 87068 Limoges Cedex, France; LLB, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France; NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France; NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France; NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191 Gif sur Yvette Cedex, France

Resume : Solid electrolytes with Nasicon structure are envisioned as Li+ conductive materials for all-solid-state batteries with good chemical and electrochemical stability [1] [2]. Li+ ionic conductivity of ~10-4 S/cm at 20°C was achieved for Li1,15Zr1,85Y0,15(PO4)3 due to stabilization of better conductive rhombohedral α phase toward orthorhombic β phase by Y3+ doping [2]. Here we examine the impact of Mg doping and evaluate the potential Li+/Mg2+ conductivity in this structure, already demonstrated in batteries with liquid electrolyte [3]. Several Mg2+-doped Nasicon samples were synthetized by wet chemical method. The average crystal structure was refined from X-ray and/or neutron powder diffraction depending on the doping level. Dense ceramics pellets sintered by Spark Plasma Sintering method were produced and conductivity measurements was performed by Electrochemical Impedance Spectroscopy. 6Li and 31P MAS NMR was used to clarify the ions site occupancies. We found that ionic conductivity decreases with Mg doping level and may be correlated to the fact that Mg2+ hinders the α-type more conductive phase formation. However a measureable conductivity is still observed on the Li-free pellet, suggesting that both Li+ and Mg2+ could contribute to the observed conductivities. Further analysis will be held to study the Li+ and Mg2+ diffusions in these materials. [1] N. K. Anuar, Ceram. Int., 40, 8 (2014) [2] H. Xu, Chem. Mater., 29, 17 (2017) [3] Y. Cheng, J. Mater. Res., 31, 20 (2016)

A..17
17:30
Authors : Ewelina Ksepko1*, Piotr Babinski1, Lori Nalbandian2
Affiliations : 1Institute for Chemical Processing of Coal, Zabrze, Poland 2Center for Research and Technology Hellas/ Chemical Process and Energy Resources Institute, Thessaloniki, Greece

Resume : Nowadays, Chemical Looping Combustion (CLC) is considered as the most promising fuel combustion method for Carbon Capture and Storage purposes. In this method, the direct contact between combustion air and fuel is avoided, while oxygen is transported to the fuel by a solid Oxygen Carrier (OC). Therefore, it enables spectacular reduction of CO2 and NOX (greenhouse gases) emissions from fossil fuel combustion. In this paper extended results on the study of a naturally occurring OC, obtained for Sinai ore, are presented, as a potential OC in CLC power plants. This is important since the raw material is highly available and the production cost of the OC is relatively low. They include reactivity study, phase determination and morphology study. The redox cycling reactions were performed at a Thermo-Gravimetric Analyser (TGA) to determine reactivity and stability. The kinetic tests were performed at selected temperature range (up to 950°C).. For the redox reactions, methane-air mixtures were applied, with different CH4 (< 25%) and oxygen (< 20% of O2) contents. Crucially, fresh and reacted samples were characterized by the following methods: X?ray Diffraction (XRD) and Scanning Electron Microscopy with X?ray Microanalysis (SEM?EDS) to detect possible structural or morphological changes due to multiple CLC redox cycles. A model-fitting method was used to properly select the redox reactions models. For the Sinai ore material, the 3-dimensional diffusion model was the most suitable for description of the reduction, while the shrinking core model was selected for the oxidation reaction. Furthermore, the performance of the synthesized Fe-Mn based OC was compared to the performance of mineral ilmenite. The kinetic parameters: activation energy, pre-exponential factor and reaction order were determined applying MathCad Prime 2.0. The obtained results clearly showed that the iron - manganese oxide based material can be considered as a potential OC in CLC power plants to generate energy. Acknowledgments The work was financed by The National Center of Research and Development Poland, project No. NCBiR/FENCO?NET2/2013 and the General Secretariat for Research and Technology Hellas, project No. 13FENCO?13?478A ?Minerals for Sustainable COst and energy efficient chemical looping combUstion Technology?-MINERAL SCOUT.

A..18
17:45
Authors : Swetha S. M. Bhat, Jun Min Suh, Seokhoon Choi, Seung-Pyo Hong, Cheon Woo Moon, Sol A Lee, Mi Gyoung Lee and Ho Won Jang *
Affiliations : Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul - 08826, Republic of Korea

Resume : BiVO4 is a promising photoanode for the photoelectrochemical (pec) water splitting owing to its suitable band edge position for oxygen evolving reactions. High photocurrent under front illumination is very much essential to design the tandem structures with wireless configuration. However, the performance of BiVO4 under front illumination is limited due to poor charge transport properties. Here, we show that network-like BiVO4 coupled with porous SnO2 nanorods (NRs) is a promising model to enhance the front illumination performance. Very high photocurrent density of 5.6 mA/cm2 and 5.5 mA/cm2 has been obtained from the front and back illumination at 1.23 V vs. reversible hydrogen elctrode (RHE) respectively. We demonstrate that the appropriate nanostructuring of SnO2 NRs/BiVO4 is the underlying technology to tune the performance under directional (front and back) illumination. The SnO2 NRs/BiVO4 exhibits a maximum incident photon to current efficiency of ~80% under front and back illumination at 1.23 V vs. RHE. Systematic study reveals that the optimized network like BiVO4 coated on porous SnO2 NRs synergistically boosts both charge separation and transfer efficiencies of the photoanode resulting in a significantly high photocurrent for illumination on either side. This work provides a direction to achieve significantly enhanced photocurrent during front and back side illumination in order to realize the wireless tandem configuration for pec water splitting devices.

A..18
17:45
Authors : Benlin Hu*, Martin Baumgarten hubenlin@mpip-mainz.mpg.de
Affiliations : Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128, Germany

Resume : We designed and synthesized three novel thia-diazoloquinoxaline containing long N-Nanorribbons with 8, 13 and 18 rings, which show high electron affinities (EAs) of ~4.1 eV derived from the onset of reductive peaks in cyclic voltammetry. Crystal structure analysis demonstrated in-plane extension through close contacts of thiadiazoles and layered packing enabling in-plane and interlayer electron transport. Organic field-effect transistor devices provided electron mobilities, which supplies a potential way to enhance the charge transport in long N-heteroacenes.

A..19
17:45
Authors : Farjana Haque, Jian Zhen Ou
Affiliations : School of engineering, Royal Melbourne University of Technology

Resume : Hydrogen evolution reaction through alkaline water electrolysis is measured as one of the most promising approach for hydrogen gas production. Searching cost-effective and non-noble metal based catalysts with high activity and stability is an urgent task in developing the hydrogen economy. In this work, we for the first time explore two-dimensional (2D) hexagonal molybdenum oxide as an efficient electrocatalyst for hydrogen evolution reaction (HER) in alkaline medium. Through ammonium ion doping, the orthorhombic-configured MoO6 octahedra of molybdenum oxide are transformed to hexagonal coordination, forming one-dimensional intracrystalline tunnels for facile interaction with ions and molecules and produces a large number of active reaction sites. Such a phase transformation also significantly lowers the hydrogen adsorption energy on the oxygen atom sites, lowering the required overpotential for HER. In addition, the charge conductivity of the oxide host is increased compared to orthorhombic molybdenum oxide, hence improving the reaction kinetics for HER. More importantly, the ammonium ion dopants are stably accommodated in the corrosion-resisted oxide host, providing an impressive stability in alkaline medium. The synergetic effects leads to an extremely stable HER activity for at least 40 h with a relatively low overpotential of 138 mV and a Tafel slope of 50 mV/dec, which is superior as a combination to those of single molybdenum compounds and hence provides a great opportunity in developing high-performance alkaline HER catalysts.

A..19
17:45
Authors : Ewelina Ksepko1, Kyle O'Malley2, Kevin J. Whitty2
Affiliations : 1 Institute for Chemical Processing of Coal, Zabrze, Poland 2 Department of Chemical Engineering, The University of Utah, Salt Lake City, USA

Resume : The paper shows results of research on both Chemical Looping Combustion (CLC) and the CLC variant known as Chemical Looping with Oxygen Uncoupling (CLOU). CLC is considered to be one of the most promising low-carbon combustion technologies. Production of a concentrated and pure CO2 stream with very low energy penalty, together with and decrease in NOx emissions to the atmosphere from fuel combustion processes are the main advantages. In CLC the direct contact between air and fuel is avoided. The required oxygen is obtained from an oxygen carrier (typically OC is Fe, Cu or Mn oxides based). For CLOU the potential metal oxides are significantly limited due to thermodynamic limitations. The aim of the work was examination of redox reactions performance for mixed metal OCs. Fine powders of different ratios of Fe2O3 and MnO2 with 40 mass% of Al2O3 were obtained. Evaluation of their performance was done in thermogravimetric analyser and in lab-scale batch fluidized bed reactor. The crucial parameters were evaluated: effect of redox cycle number on stability, temperature effect, oxygen transport capacities, and reaction rates. Furthermore, properties of fresh and reacted samples were investigated by SEM-EDX, XRD and BET. Results indicated that all oxygen carriers exhibited stable performance, and that even after 100 redox cycles complete regeneration was achieved. The oxidation rates were 3-4 times higher than the reduction rates. Also, stable reactivity of produced materials without signs of particle agglomeration was observed during fluidized bed testing. In addition, in this paper mechanical strength data is presented and discussed. The results showed that these materials are both low cost and stable in terms of CLC and CLOU reactivity. As a result they are promising carriers for industrial applications for power generation. Acknowledgement: The research leading to these results has received funding from the European Union's 7th Framework Programme no PIRSES-GA-2013-612699, and from the Polish Ministry of Higher Education and Science No. 3111/7.PR/2014/2 "Scientific work financed from the funds for science in years 2014–2017, allocated for completion of the international co-financed project."

A..20
17:45
Authors : P. Jezowski and F. Béguin
Affiliations : Poznan University of Technology, Institute of Chemistry and Technical Electrochemistry, ul. Berdychowo 4, 60-965 Poznan, Poland

Resume : The lithium ion capacitor (LIC) is a high energy hybrid system which combines an electrical double-layer (EDL) positive electrode made from nanoporous carbon with a negative intercalation electrode made from graphite or hard carbon [1,2]. However, as the amount of easily accessible lithium in the Earth’s crust is strictly limited, sodium-ion capacitors (NIC) are nowadays the object of increasing interest. Similarly to the LIC, the necessity of inserting sodium in the negative electrode before operating the NIC complicates its construction. Among the feasible strategies, the implementation of sacrificial materials should enable to simplify the device construction and to eliminate issues related with the use of metallic Na. This presentation will disclaim a number of materials from which high amount of sodium can be irreversibly extracted at potential lower than 4.0 V vs. Na/Na+, without harmful oxidation of the electrolyte. In addition, the materials are desodiated with gas evolution and consequently do not leave any electrochemically inactive dead-mass in the positive electrode. This research was financially supported by the Foundation for Polish Science in the frame of the HYCAP project (research grant TEAM TECH/2016-3/17). [1] N. Ando, S. Takasi, H. Taguchi, Y. Hato, Organic electrolyte capacitor, EP1400996A1 (2002) [2] T. Aida, K. Yamada, M. Morita, Electrochem. Solid-State Lett. 9 (2006) A534

A..20
17:45
Authors : Renjie Wei, Ming Fang, Guofa Dong, Changyong Lan, Lei Shu, Heng Zhang, Xiuming Bu, Johnny C. Ho
Affiliations : Department of Materials Science and Engineering, City University of Hong Kong

Resume : Due to sluggish kinetics of the oxygen evolution reaction (OER), designing low-cost, highly active, and stable electrocatalysts for OER is important for the development of sustainable electrochemical water splitting. Here, {112} high-index facet exposed porous Co3O4 nanosheets with oxygen vacancies on the surface have been successfully synthesized via a simple hydrothermal method followed by NaBH4 reduction. As compared with the pristine and other faceted porous Co3O4 nanosheets (e.g., {110} and {111}), the as-prepared {112} faceted porous nanosheets exhibit a much lower overpotential of 318 mV at a current density of 10 mA cm−2. Importantly, these nanosheets also give excellent electrochemical stability, displaying an insignificant change in the required overpotential at a current density of 10 mA cm−2 even after a 14 h long-term chronoamperometric test. All these superior OER activity and stability could be attributed to their unique hierarchical structures assembled by ultrathin porous nanosheets, {112} high-index exposed facets with higher ratio of Co2+/Co3+ and oxygen vacancies on the surface, which can substantially enhance the charge transfer rate and increase the number of active sites. All these findings not only demonstrate the potency of our Co3O4 nanosheets for efficient water oxidation but also provide further insights into developing cost-effective and high-performance catalysts for electrochemical applications.

A..21
17:45
Authors : Aravind RAVICHANDRAN, Marc RAMUZ, Sylvain BLAYAC
Affiliations : Aravind RAVICHANDRAN: PhD student Marc RAMUZ: Assitant professor Sylvain BLAYAC: Thesis director Department of Flexible Electronics, Ecole Nationale Supérieure des Mines, Centre Microélectronique de Provence CMP-EMSE, MOC, F-13541 Gardanne, France.

Resume : With the rapid development of wearable electronics and sensor networks, batteries cannot meet the sustainable energy requirement due to their limited lifetime, material use, size and degradation. Ambient energies such as wind have been considered as an attractive energy source due to its copious, ubiquity, and feasibility in nature. With miniaturization leading to high-power and robustness, triboelectric nanogenerator (TENG) has been conceived as a promising technology by harvesting mechanical energy for powering small electronics. In this work, a state of the art design TENG based on wind venturi system is demonstrated for use in any complex environment. When wind introduces into the air gap of the homemade TENG venturi system, a thin flexible polymer repeatedly contacts with and separates from electrodes. Multiple stacking not only amplifies the output power but also enables multi-directional wind utilization. The system converts ambient mechanical energy to electricity with 400V peak voltage by charging of a 1000mF super capacitor super rapidly. Its future implementation in an array of applications aids in environment-friendly clean energy production in large-scale medium and the proposed design performs with an exhaustive material testing. By considering these merits of simple fabrication, outstanding performance, robust characteristic and low-cost technology, we believe that TENG can open up great opportunities not only for powering small electronics but can contribute to large-scale energy harvesting through engineering design being complementary to solar energy in remote areas.

A..21
17:45
Authors : Kazuki Fukui, Yoshikazu Suzuki, and Hiroya Abe
Affiliations : Kazuki Fukui: Graduate School of Pure and applied Sciences, University of Tsukuba, Ibaraki, Japan Yoshikazu Suzuki: Faculty of Pure and Applied Sciences, University of Tsukuba, Ibaraki, Japan Hiroya Abe: Joining and Welding Research Institute, Osaka University, Osaka, Japan

Resume : Keywords: NiCo2O4, supercapacitor, hydrothermal synthesis, particle evaluation These years, rechargeable energy materials and devices are widely studied for large scale energy consumption, and supercapacitor is a promising device in such energy situation. Transition metal double-oxide, such as NiCo2O4 and NiMn2O4, are highly studied as candidate materials for supercapacitors. However, the effect of NiCo2O4 particle size against final performance is not so researched. Hence, in this study, we prepared and evaluated NiCo2O4 powders by hydrothermal synthesis. NiCl2·6H2O (1 mmol), CoCl2·6H2O (2 mmol) and urea (15 mmol) were dissolved in 30 mL distilled water to obtain transparent solutions. The solutions were hydrothermally treated at 120-160 C for 6 h, and purple-colored precursors were obtained. These precursors were calcined at 350 C for 3 h, and black-colored powders were synthesized. The obtained powders were characterized by XRD, SEM, TEM and N2 adsorption/desorption isotherms. From the evaluation of XRD, single phase NiCo2O4 was observed in all samples. Besides, 1-5 μm sized urchin-like particles were observed in SEM observation. IUPAC III-type hysteresis loops were observed in some samples.

A..22
17:45
Authors : Keshab Karmakar, Kalyan Mandal.
Affiliations : S N Bose National Centre for Basic Sciences, JD Block, sector-iii, Salt Lake, Kolkata - 700106 West Bengal,India.

Resume : Solar fuels generation and direct conversion of solar energy to electricity in photoelectrochemical (PEC) cell are the remarkable green approaches to harvest renewable energy.1,2 The nature abundant metal oxide semiconductors have shown immense potential for energy conversion in PEC cell. Among oxide semiconductors, ZnO has been extensively investigated as photoanode material for photoelectrochemical water splitting because of its favourable band-edge positions with respect to the water oxidation and reduction potential, superior chemical and thermal stability and low cost. Still, the overall photoconversion efficiency of ZnO is considerably inadequate because of its large band gap (in UV region) , poor visible light absorption, low carrier separation efficiency and sluggish carrier transport. But one important property is that the oxygen vacancy defects arise spontaneously into the ZnO nanostructures which help ZnO to absorb visible light. Recently, tuning of oxygen vacancy defect in oxide semiconductor (like TiO2, Fe2O3, WO3)3,4,5 is found to have dominating role in enhancing the photoelectrochemical properties. The oxygen-vacancies present within the bandgap can also contribute in photocurrent providing photogenerated carriers to the conduction band under illumination and also increase the carrier lifetime serving as the active sites for electron trapping to improve the carrier separation and transportation Therefore, proper defect engineering can provide a suitable solution to overcome these limitations. Furthermore, it is also reported that the introduction of lattice strain defects in oxides matrix can tune their electronic structure favouring fast charge/ion transportation and mobility.6 Therefore, it is obvious that the defect engineering has a crucial role in tailoring the PEC property of oxides. In this context, a facile wet chemical method was successfully employed to fabricate highly dense arrays of alkali metal (Li, Na and K) doped ZnO NRs. The alkali-metal doped ZnO NRs are found to exhibit remarkably enhanced photoelectrochemical property for photocatalytic O2 generation. The alkali-doping introduces significant lattice strain and large concentration of oxygen-vacancy defects in ZnO host. Lower valance alkali-doping introduces holes in the matrix and therefore the neighbour oxygen leave the site leaving behind two to compensate the holes created in the system creating oxygen-vacancies. The oxygen-vacancies act as the sub band-gap donor sites, which generate photoelectron during light illumination resulting enhanced photocurrent. Along with light absorption, the oxygen-vacancies also act as the recombination centre for the photogenerated electrons, which helps in the diffusion of the photogenerated minority carriers in valance band facilitating the charge separation and thus reduce electron-hole recombination. Here, the lattice strain is found to tailor the electronic structure of the NRs favouring enhanced electronic/ionic transportation and mobility only. Alkali-doping also reduces the effective band gap energy of the NRs and also shift the conduction/valence band edges towards more negative energy. Thus the alkali-doping also effects the NRs/FTO interfacial band alignment resulting easy transportation and separation of photo carriers resulting enhanced photoelectrochemical property. These findings demonstrate in depth understanding on the defect mediated photoelectrochemical property of alkali-doped ZnO NRs for its application in water splitting. References: 1. Alexander, B. D.; Kulesza P. J.; Rutkowska, I; Solarskac, R.; Augustynski, J. Metal oxide photoanodes for solar hydrogen production. J. Mater. Chem. 2008, 18, 2298–2303. 2. Grätzel, M. Photoelectrochemical cells. Nature 2001, 414, 338-344. 3. Zhu, C.; Li, C.; Zheng, M.; Delaunay, J.-J. Plasma-Induced Oxygen Vacancies in Ultrathin Hematite Nanoflakes Promoting Photoelectrochemical Water Oxidation. ACS Appl. Mater. Interfaces 2015, 7, 22355−22363. 4. Wang, G.; Wang, H.; Ling, Y.; Tang, Y.; Yang, X.; Fitzmorris, R. C.; Wang, C.; Zhang J. Z.; Wang, Y. L. Hydrogen-Treated TiO2 Nanowire Arrays for Photoelectrochemical Water Splitting. Nano Lett, 2011, 11, 3026-3033. 5. Mirfasih, M. H.; Li, C.; Tayyebi, A.; Cao, Q.; Yua , J.; Delaunay, J.-J. Oxygen-vacancy-induced photoelectrochemical water oxidation by platelike tungsten oxide photoanodes prepared under acid-mediated hydrothermal treatment conditions, RSC Adv. 2017, 7, 26992- 27000. 6. Kushima, A.; Yildiz, B. Role of Lattice Strain and Defect Chemistry on the Oxygen Vacancy Migration at the (8.3%Y2O3-ZrO2)/SrTiO3 Hetero-Interface: A First Principles Study, ECS Trans. 2009, 25, 1599-1609.

A..22
17:45
Authors : Na Kyoung Youn1, 2, SeJin Ahn1, Ara Cho1, Jihye Gwak1, Seung Kyu Ahn1, Jun Sik Cho1, Joo Hyung Park1, Jin Soo Yoo1, Kihwan Kim1, Donghyeop Shin1, In-Young Jeong1, Jae Ho Yun1, **Young-Joo Eo1, **Dong-Hwan Kim2
Affiliations : 1 Photovoltaic Laboratory, Korea Institute of Energy Research (KIER), Daejeon, Korea 2 Dept. of Materials Science and Engineering, Korea University, Seoul, Korea

Resume : Among thin film solar cells, Cu(In1-xGax)Se2 (CIGS) solar cells are one of promising candidates because of their high efficiency. In spite of the excellent performance of CIGS solar cells, however, the high production costs of conventional vacuum-based fabrication processes, such as a multi-stage co-evaporation and a two-step process for sputtering and selenization, are hurdles to the widespread commercialization of CIGS thin film solar cells. Thus, non-vacuum-based CIGS fabrication processes have been investigated over the past several years. However, the non-vacuum solar cell efficiency has been still lower than that from vacuum-based process due to the poor quality of CIGS absorber film. Here, we propose a new approach to solve the issue previously described. To reduce the production cost, we have developed a new hybrid process combining vacuum and non-vacuum method. Carbon-free CuS nano-particle precursors are used as a Cu source material. (In, Ga)2 Se3 precursor was stacked by thermal evaporation at low temperature. This stacked CuS/ (In, Ga)Se3 thin film was selenized to make dense and large-grained CIGS thin film absorber layer. We present a high quality of CIGS thin film absorber from our hybrid process by examining the morphologies, crystal structures, and compositional distributions. And also, we demonstrate its practical possibility by measuring the conversion efficiency and the external quantum efficiency for the completed solar cells.

A..23
17:45
Authors : Zahra BOURAMDANE, Anass ZAAOUMI, Abdellah BAH,Nadia MARTAJ, Mohammed
Affiliations : Zahra BOURAMDANE*a, Anass ZAAOUMI*a, Abdellah BAH*a,Nadia MARTAJ*b,c, Mohammed ALAOUI*a *a- Equipe de Recherche en Thermique et Energie (ERTE) - Centre de Recherche Energie, ENSET- Mohammed V University in Rabat, Morocco *b- EPF-Ecole d'Ingénieur-e-s 2, rue Fernand Sastre 10430 Rosières-près-Troyes, France *c- GRESPI EA 4694, University of Reims Champagne-Ardenne Reims, France

Resume : This paper deals with a Computational Fluid Dynamics (CFD) simulation of standing wave thermoacoustic engine composed of tube (resonator) and stack placed between two heat exchangers. Theoretical models are developed based on CFD simulation based on coupled compressible Navier-Stokes and heat transfer equations that govern the working gas. The study is performed to investigate the influence of the stack materials and stack length on the parameters of the acoustic wave. It is found that the variation of stack materials and length not only influence the acoustic pressure and frequency of the system, but also affect the acoustic field along the tube.

A..23
17:45
Authors : B. Shabalin, B. Zlobenko
Affiliations : SI "Institute of Environmental Geochemistry" NAS of Ukraine

Resume : The decommissioning and waste-management activities at the ChNPP and Unit 4 (Shelter) will generate significant amounts of radioactive waste with a wide range of characteristics that will need to be safely managed. Heat-generating high-level waste with a high content of Cs isotopes has a significant place within the context of problems solution for radioactive waste. These problems arise, first of all due to 134Cs and 137Cs high activity and a presence of long-living 135Cs isotope, the second - volatility of isotopes Cs at high temperatures and its ability to form its own water soluble compounds during the synthesis of Cs-bearing matrices. Ceramics are the most durable waste forms; however, they are still not generally adopted by the nuclear industry. Among the many potential advantages of ceramic waste forms, five are most notable: (1) low leach rates for many crystalline phases; (2) long-term resistance to radiation damage; (3) high waste loading; (4) excellent thermal and mechanical stability; and (5) simple processing and low cost. To solve the problems of new matrices HLW synthesis, from both practical and theoretical points of view, it is important to take into account the existence of crystal chemistry criteria of existence of various phases of a given structure type. Ceramic incorporation of waste elements is based on the isomorphism of mineralogy. Most actinides and fission products can be incorporated into polycrystalline phases, such as zirconolite, perovskite, garnet and hollandite. Direct incorporation of HLW into ceramic hosts has been the topic of extensive study over many years and a number of reviews are available. Adapting of this experience in Ukraine were involved specialists of the SI IEG NAS of Ukraine and the NSC "Kharkiv Institute of Physics and Technology" NAS of Ukraine. Since 1997 the Department of Nuclear Geochemistry of the Institute of Environmental Geochemistry has developed several different types of crystalline host-phases acceptable for immobilization of high level wastes. The work have been done in Institute in recent years is devoted to the synthesis and micro structure ceramic matrices characterization.

A..24
17:45
Authors : Huseyn M Mamedov, Elgun B Tagiyev, Vusal U Mamedov, Elmira A Khanmamedova
Affiliations : Baku State University, Z.Khalilov str., 23, Baku, Azerbaijan, Az1148

Resume : The photoelectrical properties of p-CdTe/Cd1-xZnxS(Se)1-yTe(Se)y heterojunctions deposited by the electrochemical way onto the different substrates (glass/Cu:C and Mo) have been investigated. It is established that efficiency of solar cells is determined by heat treatment environment (oxygen, CdCl2) and regime, and also the size of nano-grains of the transparent films SnO2. Maximum efficiency (14.2%) has been obtained in solar cells with 20 nm grain size of SnO2 films.

A..24
17:45
Authors : Joong-Hee Han (1), Jürgen Kahr (1), Raad Hamid (1), Anish.Kathribail (1), Hyungil Jang(2), Do-Young Ahn(2), Sung-Hwan Han(2), Sabine Schwarz (3), Corina Täubert (1)
Affiliations : 1 Electric drive technologies center for low-emission transport, Austrian Institute of Technology, Giefinggasse 2, 1210, Vienna, Austria. E-mail: Joong-Hee.Han@ait.ac.at 2 Department of Chemistry, Hanyang University, 222, Wangsimni-ro, Seongdong-gu, Seoul 04763, Republic of Korea. E-mail: shhan@hanyang.ac.kr 3 Vienna University of Technology , USTEM, Wiedner Hauptstraße 8-10 / 052, A-1040 Wien, Austria

Resume : Molybdenum diselenide (MoSe2), is a representative of the two-dimensional (2D) structured transition metal dichalcogenides like molybdenum disulfide (MoS2). MoSe2-based materials have been intensively researched in lithium ion storage systems due to the larger interlayer space (6.56 Å) in comparison to MoS2 (6.15 Å), which can facilitate easy insertion and extraction of lithium ions analogues to graphite, and their high theoretical specific capacity (442 mAh g-1)[1]. A significant advantage towards MoSe2 is the higher electrical conductivity because of the more metallic nature of selenium (10-5 S cm-1) than that of sulfur (5 x10-30 S cm-1)[2]. The MoSe2-based composites have been considered as anode materials for lithium-ion batteries[3] and sodium-ion batteries as well [4]. Herein, we present a facile hydrothermal synthesis of a MoSe2-graphenoid carbon (MoSe2-C) composite and its electrochemical performance for rechargeable lithium ion batteries. By carbonizing ethylene glycol molecule trapped in confined interspaces of MoSe2 layers, the sandwich-structured MoSe2-graphenoid-MoSe2 with enlarged interlayer spaces was prepared. It was found that selenium (Se) chains with a hexagonal structure would be activated by lithiation and conversion during the first lithiation at 1.1 V and 0.8 V vs Li / Li, and that Se-chains were involved mainly in the subsequent lithiation/delithiation enhancing the lithium kinetics and exhibiting higher specific capacity. The MoSe2-C nanocomposite exhibited high specific capacity and excellent cycling stability, resulting in 1104 mAh g-1 after 80 cycles at the C-rate of 0.1C. It also showed superior rate capability: 704 mAh g-1, 648 mAh g-1, 491 mAh g-1 and 254 mAh g-1 at the rate of 1 C, 2 C, 5 C, and 10 C, respectively. These excellent cycling performances are attributed to the existence of the graphenoid carbons in the nano-MoSe2 sheets. Full cells with graphenoid carbon-MoSe2 composite as anode and NMC532 as cathode were also fabricated to demonstrate their feasibility for practical applications showing good capacity retention. This full cell exhibited excellent rate capability of 207 mAh g-1(anode) at a high rate of 10 A g-1. In conclusion the novel graphenoid carbon-MoSe2 composites derived from ethylene glycol seems to be a promising alternative to graphite as anode material in lithium ion batteries. References: [1] D. Wang, L.-M. Liu, S.-J. Zhao, Z.-Y. Hu, and H. Liu, “Potential Application of Metal Dichalcogenides Double-Layered Heterostructures as Anode Materials for Li-Ion Batteries”, The Journal of Physical Chemistry C, vol. 120, 4779-4788, 2016. [2] J. L. and K. A. Rui Xu, Tianpin Wu, "Li-S batteries: the challenges, chemistry, materials and future perspectives", World Scientific, Chapter 7, 309-333, 2017. [3] Z. Zhang, X. Yang, Y. Fu, and K. Du, “Ultrathin molybdenum diselenide nanosheets anchored on multi-walled carbon nanotubes as anode composites for high performance sodium-ion batteries”, Journal of Power Sources, vol. 296, 2–9, 2015. [4] Y. Xia, B. Wang, X. Zhao, G. Wang, and H. Wang, “Core-shell composite of hierarchical MoS2 nanosheets supported on graphitized hollow carbon microspheres for high performance lithium-ion batteries”, Electrochimica Acta, vol.187, 55–64, 2015. Acknowledgements: This work was financially supported by The Austrian Research Promotion Agency (FFG) in the research program of energy under Grant No. 5131261. We acknowledge gratefully the supports of TEM- and XPS investigation from Vienna University of Technology (TU Wien), Austria.

A..25
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Authors : Anass Sibari, Zineb Kerrami, Abdelkader Kara, Omar Mounkachi, Mohammed Hamedoun, Abdelilah Benyoussef, Mohammed Benaissa
Affiliations : LaMCScI, B.P. 1014, Faculty of Science-Mohammed V University, Rabat, Morocco; Department of Physics, University of Central Florida, Orlando, Florida 32816, USA; Institute of Nanomaterials and Nanotechnology, MAScIR Rabat, Morocco; Hassan II Academy of Science and Technology, Rabat, Morocco

Resume : Using density functional theory, a detailed computational study is performed to explore the structural and electronic properties of a phosphorene monolayer, bilayer and trilayer under a uniaxial strain along the armchair (b axis) and zigzag (a axis) directions. In the case of a monolayer phosphorene, it is found that strain along the armchair direction tends to compensate the increase of the b lattice parameter simultaneously by those of the a lattice parameter and the puckering height (?). Along the zigzag direction, however, variation of the a lattice parameter is only compensated by that of the b lattice parameter where the parameter ? remains unaffected. In the case of a bilayer and trilayer phosphorene, a similar behavior is observed where the layers-spacing "d" acts as an additional degree of liberty for strain compensation. In terms of electronic properties, strain along the armchair and zigzag directions changes the nature of the gamma point in the bandgap from a direct to an indirect electronic transition as a function of the strain value. In the strain range from -14% to +6%, all phosphorene structures behave like most semiconductors under strain. However, size and strain combined effect significantly affects the Fermi energy position. Around 0% strain, all phosphorene structures are of p-type, while they switch to an n-type semiconductor in the range of strain values from +2% up to +14%. This p-type to n-type transition may have a major technological impact in fields where mono- and hetero-junctions are needed.

A..25
17:45
Authors : Adnan Ali, Brahim Aissa
Affiliations : Qatar Environment & Energy Research Institute, Hamad Bin Khalifa University, Doha, Qatar

Resume : Photoactive materials based on conjugated polymers are very promising candidates for Hybrid organic photovoltaic (OPV) cells. Conjugated polymers are inexpensive materials and therefore, their processing is very cost-effective and the ease of fabrication by solution processing make them more attractive. So far, OPV with modest efficiency are obtained. The low power conversion efficiency (PCE) of OPV is one of the main reason which has impeded large scale deployment. The low PCE of OPV solar cells is attributed to the low carrier mobility, which is closely correlated to the transport diffusion length of the charge carriers within the photoactive layers. 2D material like graphene which has huge carrier mobility, thermal and chemical stability and its compatibility of fabrication by solution processing techniques making it an excellent candidate for assisting charge transport improvement in the active layer of OPV cells. In this work, we report on the improvement of the optoelectronic properties and photovoltaic performance of photoactive blended layers i.e. P3HT:PCBM doped graphene flakes which was then integrated into a bulk heterojunction (BHJ) organic-photovoltaic-based device, using PEDOT:PSS on an ITO/glass substrate. Firstly, effect of graphene flakes content was studied in terms of the light absorption capacity which has shown increase with increasing concentration of graphene flakes. Besides this, quenching was observed through photoluminescence which is a clear indication of electron transfer between the graphene flakes and the polymeric matrix. P3HT:PCBM doped graphene flakes layer is incorporated into the BHJ as active layer. An increase in PV performance with respect to the reference cell was observed. The best PV performance was obtained for 3 wt.% loading of graphene flakes. The solar cell showed an open-circuit voltage (Voc) of 1.24 V, a short-circuit current density (Jsc) value of 6.18 mA cm?2 , a fill factor of 47.12%, and a power conversion efficiency of about 3.61%. It is obvious from the organic photovoltaic solar cell efficiency that sp2- bonded carbon doping of photoactive conjugated polymer has strong role in its enhanced performance.

A..26
17:45
Authors : Liangrui Huang, Pengxiang Li
Affiliations : Material and Engineering Structure Department of Changjiang River Scientific Research Institute

Resume : The chemical grouting technique is uniquely well functioned in waterproofing process, treatment to leakage, and structural reinforcement in the hydropower engineering. There are many species which have their own features contained in chemical grouting. According to the investigation results of the current chemical grouting materials, the main orientation of the experiments and applications of chemical grouting is determined. Due to the specific requirements for chemical grouting materials in actual engineering, many tests have been processed, Active-diluent of furfural-acetone, low poison hardener, surfactant and a series of formula with qualified properties have been selected; also, the chemical grouting techniques are theoretically well supported by the exploration of law of motion of the chemical grouting materials in objects. The proper coordination of the characteristics of chemical grouting materials and the construction methods directed by scientific theories guarantees the final qualities of chemical grouting materials, especially for the chemical grouting materials which are applied in special environments. A series of technological problems such as treatment of concrete fine cracks, foundation reinforcement to faults, and the seepage control for dam bases are well solved by these chemical grouting materials and construction methods, these facts demonstrated the advantages of the chemical grouting materials and construction methods.

A..26
17:45
Authors : Cham Kim, Yeokyung Yang, Mi Ju Kim
Affiliations : Cham Kim(DGIST); Yeokyung Yang(DGIST); Mi Ju Kim(Keimyung University)

Resume : The lithium insertion compounds with polyanionic groups (e.g., SO42-, PO43-, MoO42-, etc.) are known to be potential cathode active materials for use in lithium ion batteries. In particular, olivine phosphate structured LiFePO4 (LFP) has received a great deal of attention as a cathode active material due to its low cost, low toxicity, high thermal stability, and high specific capacity last but not least. However, the electrochemical performance of LFP is seriously limited by its low ionic conductivity, which can be attributed to the one dimensional diffusion of Li ions in the olivine phosphate structure, as well as poor electrical conductivity. In addition, Li ion conductivity was proved to be nearly several orders of magnitude lower than electrical conductivity. To enhance the lithium ion transport in LFP, we have attempted to control crystal orientation of the material using a magnetic field in the present study. We investigated the magnetism and magnetic susceptibility of LFP, which are susceptible to an external magnetic field to decisively cause the variation in crystal orientation, and considered how these properties can be used to accomplish desired crystal alignment of LFP. Relevant information was usefully applied to designing the crystal alignment process using a magnetic field, thus affording a crystal aligned LFP, which should be optimized for the one dimensional delithiation/lithiation during charge/discharge process in lithium ion batteries.

A..27
17:45
Authors : Simin He, Qing Zhou, Long Zhang
Affiliations : Institute of Chemical Materials, China Academy of Engineering Physics

Resume : Dramatic temperature rise of energetic materials by using only millisecond pulses of light is very important for optical ignition. Here we demonstrated ultrafast and large temperature rise of graphene oxide membranes by laser irradiation, as well as its unique energetic property compared to graphene membranes. The morphology and temperature change of graphene oxide membranes during the laser irradiation were studied for understanding the mechanism of dramatic temperature rise. Graphene-based membranes with different content of oxygen-containing groups were used to compare the photothermic and energetic property. Furthermore, the initiating energy of laser squibs was 40% decreased by adding graphene oxide membranes, which gives great potential for developing light-driven ignition with low initiating energy.

A..27
17:45
Authors : Jong Ho Won, Hyung Mo Jeong, Jeung Ku Kang
Affiliations : Graduate School of Energy, Environment, Water and Sustainability (EEWS) and NanoCentury, KAIST Institute, Daejeon 305-701, Republic of Korea; Department of Nano Applied Engineering, Kangwon National University, 1 Kangwondaehak-gil, Chuncheon-si, Gangwon-do, 24341 Republic of Korea; Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 305-701, Republic of Korea

Resume : Arising from the demand of high-performance energy storage, the search for a practical hybrid material that can give high energy densities to a full-cell energy storage is one of the most challenging issues. Also, the method of producing a hybrid material is also a difficult problem. Herein, we report a hierarchical graphene pliable pocket (GPP) that can provide the internal compartment to accommodate active materials. In addition, Metal_encapsulated GPPs (M_GPPs) have been fabricated by the instant polymerization of ester along with the subsequent stacking of graphene upon metal nanoparticles within an hour, which is also extended to a scalable mass production by simply increasing the batch size. Moreover, electrochemical energy storage performances of Si_GPPs as anodes in half-cell and full-cell configurations of lithium-ion batteries demonstrate that allows excellent rate capability at various current densities along with > 99 % in initial Coulomb efficiency by minimizing the irreversible reactions at a full-cell configuration. Furthermore, the full-cell configurations using Si_GPP anodes with representative cathodes of LiCoO2, LiMnO2, and LiFePO4 are proven to give the highest gravimetric and volumetric energy densities close to 500Wh/Kg and 1370Wh/l, exceeding those of full-cells using commercial anodes. Finally, Si_GPP used as anodes of Li-ion capacitors, and secure over 15000 cycles with 70% capacity retention. The hybrid structure we have developed and its synthesis method could pave a novel route to realize a new class of full-cell energy storage devices with high energy densities along with robust cycle life.

A..28
17:45
Authors : Maria Covei, Cristina Bogatu, Dana Perniu, Anca Duta, Ion Visa
Affiliations : Transilvania University of Brasov, Romania, Renewable Energy Systems and Recycling Center (for all authors)

Resume : Photocatalysis extended its applications from water and air treatment to various other fields such as for obtaining self-cleaning glass or tiles, antibacterial paint in hospital rooms, antifogging coatings, etc. An advanced application is related to the photocatalytic thin films for the PV glazing. Coating the solar glass of PV modules with layers that simultaneously possess self-cleaning (SC), IR-shielding (IR-S) and UV-Vis antireflection (AR) properties could enhance the electrical output by as much as 10%. The main difficulty arises in the sustainable design and optimization of the materials that simultaneously meet the functional (optical and photocatalytical) properties, obtained through a low-cost, low-toxicity and low energy-intensive deposition method. The use of well-known oxides such as TiO2 or WO3 in either SC or AR (car mirrors, fenestration, etc.) or IR-S applications (low-energy building glazing) represents a starting point in unifying these three properties, to be extended to PV glazing. Moreover, the optical and photocatalytical properties can be further enhanced in the VIS domain by adding reduced graphene oxide (r-GO) to create high-porosity powders and films, as well as to tailor the optical bandgap of the composite to support charge separation. In this work, sol-gel dispersions of titanium dioxide with different amounts of reduced graphene oxide (0-5%) were obtained in water-ethanol mixtures, with acetylacetone as chelating agent and sodium dodecylsulfate (SDS) as additive and in-situ doping agent. The powders obtained after aging (48 h) were filtered and annealed (30 minutes at 120oC and 2 hours at temperatures up to 550oC); the powders exhibited good crystallinity, uniform morphology, high surface energy. By dispersing the powders in water-ethanol (at low concentrations of 0.5-5 wt.%) and adding stabilizing agents, homogeneous dispersions were obtained. Stability (evaluated based on UV-Vis transmittance variation in time) is directly related to the dispersion composition and pH. The stable dispersions were then sprayed at room temperature on glass (heated at 40-60oC), using a low number of layers (3-10) to obtain transparent, adherent thin films. These were crystalline, continuous and homogeneous, with bandgap values between 3.2 and 4.2 eV, strongly hydrophilic and have promising optical properties (T(UV-Vis)>80% and T(IR)< 15%); therefore, the films are promising prospects for IR-S and AR applications in the PV industry. Preliminary tests performed at very low irradiance (G=34 W/m2) on the photodegradation of phenol (as representative emerging pollutant) showed that the thin films were active under simulated solar radiation (90% Vis and 10% UV), with rGO playing a substantial role by increasing charge separation.

A..29
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Authors : Xuexue Pan, Agnieszka Chojnacka, Paweł Jeżowski, François Béguin
Affiliations : Poznan University of Technology, Institute of Chemistry and Technical Electrochemistry Berdychowo 4, 60-965 Poznan, Poland

Resume : Na-ion capacitors (NICs) recently attracted the scientific attention due to higher energy than EDLCs and low cost of sodium [1]. However, the operation of NICs requires pre-sodiation of the negative electrode in a separate step. One way to circumvent this difficulty is to implement a positive activated carbon (AC) electrode which incorporates a sacrificial material from which sodium is irreversibly extracted. Based on this concept, the present work is focused on developing a NIC where sodium is irreversible extracted from Na2S [2] and inserted into a HC/Sn4P3 (HC = hard carbon) negative electrode. A Na2S/AC composite electrode was prepared by mixing Na2S with activated carbon (AC), carbon black and PTFE binder. A huge irreversible capacity of 676 mAhg-1 was observed below 3.8 V vs. Na/Na+ during galvanostatic charge/discharge of Na2S/AC in a half cell. A NIC cell was assembled with Na2S/AC positive electrode, HC/Sn4P3 negative electrode and a Na reference electrode to monitor the behavior of individual electrodes. Once pre-sodiation was completed, AC became the active material for electrical double-layer charging, while reversible sodium insertion/deinsertion occurs at the HC/Sn4P3 electrode. The NIC system demonstrated excellent life span and a high energy density of 64 Wh kg-1 at 500 mAg-1. The obtained results confirm that Na2S is a promising sacrificial material for NICs. The authors acknowledge the financial support of the HYCAP project by the Foundation for Polish Science (research grant TEAM TECH/2016-3/17). References: [1] H. Wang, C. Zhu, D. Chao, Q. Yan, H.J. Fan, Adv. Mat. 29 (2017) 1702093. [2] X. Yu, A. Manthiram, Chem. Eur. J. 21 (2015), 4233.

A..30
17:45
Authors : S. Fengler 1;2, Th. Dittrich 3, M. Schieda 1, T. Emmler 1, M. Villa Vidaller 2, T. Klassen 1;2
Affiliations : 1. Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung, Institut für Werkstoffforschung, Max-Planck-Str. 1, D-21502 Geesthacht, Germany; 2. Helmut-Schmidt-Universität, Universität der Bundeswehr Hamburg, Institut für Werkstofftechnik, Holstenhofweg 85, D-22043 Hamburg, Germany; 3. Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Institut für Silizium-Photovoltaik, D-12489 Berlin, Germany

Resume : Surface photovoltage (SPV) methods enable the investigation of charge separation phenomena in photoactive materials with a wide range of morphologies, from coatings/layers to powders, and are applicable to contactless measurements both for fast screening as well as for detailed investigations. A series of SPV techniques can be combined to provide information about band gaps and defect states, as well as separation, trapping and recombination of photo generated charge carriers, within a photoactive material. In this context, it is useful to examine the potential of these methods for the study of materials of interest to solar cells and photocatalytic water splitting applications. For a series of commercially available metal oxides powders of BiVO4, WO3, H2WO4 and Fe2O3, we present a comparison of the information provided by different surface photovoltage methods, including Kelvin probe, modulated and transient SPV spectroscopies.

A..31
17:45
Authors : Priyanka Garg, Biswarup Pathak
Affiliations : Discipline of Chemistry, Indian Institute of Technology Indore, Indore, Madhya Pradesh 453552, India

Resume : Abstract: Photocatalytic water splitting is an efficient way to convert solar energy into hydrogen energy. Bulk CdS is one of the interesting semiconductor based photocatalytic materials due to its perfect band edge position and visible light absorption. However, CdS suffers from photo stability and electron-hole recombination. On the other hand, low dimensional CdS based materials show excellent photocatalytic activity. Therefore, using the density functional theoretical calculations, we have studied CdS monolayer (two dimensional) and CdS nanotube (one dimensional) for overall water splitting reaction. This is done to understand the role of dimensionality in CdS for water splitting. Remarkably, we find that such CdS based nanostructures stabilizes valence band over bulk, which in turn reduces the electron-hole recombination and thus improve photostability. Furthermore, our overpotential study shows that the rate limiting steps are improved in low dimensional CdS than that in the bulk CdS. Besides, several other factors play an important role for this. In this poster presentation, we would like to discuss all these factors to explain - why low dimensional CdS show better photocatalytic activity than the bulk CdS. [1] P. Garg, S. Kumar, I. Choudhuri, A. Mahata, B. Pathak, J. Phys. Chem. C 2016, 120, 7052−7060. [2] P. Garg, P. Bhauriyal, A. Mahata, K. S. Rawat, B. Pathak (manuscript submitted).

A..32
17:45
Authors : Yongjoon Cho, Won-Tae Park, Yong-Young Noh,*, and Changduk Yang,*
Affiliations : 1 Department of Energy Engineering, School of Energy and Chemical Engineering, Perovtronics Research Center, Low Dimensional Carbon Materials Center, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan 44919, South Korea 2 Department of Energy and Materials Engineering, Dongguk University, 30 Pildong-ro 1-gil, Jung-gu, Seoul 04620, Republic of Korea

Resume : The recent development of low-band-gap polymers comprising alternating donor and acceptor units in the backbone led to an improvement in the charge transport properties of organic field-effect transistors (OFETs). Among many conjugated semiconducting materials, P(NDI2OD-T2) (also known as Polyera ActivInk N2200) is well-known as a top-performing n-channel material comprising a naphthalenediimide acceptor and a bithiophene donor units. Herein, we report ambipolar OFETs based on (NDI2OD-T2) analogous polymers by introducing simultaneously the alkoxy-bithiophene unit and changing of alkyl branching point. This study advances our fundamental understanding of how polymer structure influences dominant polarity of charge carriers and reveals a new synthetic strategy for the design of ambipolar semiconducting materials.

A..33
17:45
Authors : Valentina Pinto [a, b], Angelo Vannozzi [a], Achille Angrisani Armenio [a], Fabio Fabbri [c], Andrea Augieri [a], Giuseppe Celentano [a], Damiano Palmieri [b], Fabio Domenici [b], Rocco Carcione [b], Sara Politi [b], Massimo Tomellini [b], Silvia Orlanducci [b]
Affiliations : [a] Superconductivity Laboratory, FSN, ENEA, Via Enrico Fermi 45, 00044, Frascati (Rome), Italy [b] Department of Chemical Sciences and Technologies, Tor Vergata University, Via della Ricerca Scientifica, 00133 Rome, Italy [c] Superconductivity Laboratory, FSN, ENEA, Via Anguillarese 301, 00123, Rome, Italy

Resume : Recently, the use of Nanodiamond (ND) for the improvement of superconducting transport properties of YBa2Cu3O7-x (YBCO) films was proposed for the first time[1]. The preliminary results showed that ND did not degrade during thermal treatment and did not destroy the YBCO structure, even if the film morphology needed to be significantly improved. Then, further optimizations of the chemical solution deposition process were carried out. Good epitaxial YBCO films with ND addition (YBCO-ND) were obtained; the highly c-axis oriented grain structure, revealed by XRD, corresponded to a dense and uniform film surface observed with SEM. The good morphological and structural properties of YBCO-ND films were comparable with those of pure YBCO, confirming that ND introduction does not produce any film degradation. High critical temperature values were also measured (90.4 ± 0.2 K). Moreover, a promising slight enhancement of transport properties, over 77-10 K temperature range, was observed. However, in order to obtain a more significant improvement of superconducting properties, higher ND concentration in YBCO films needs to be considered and could be achieved through ND surface modification. Therefore, the effects of different functional groups on the nanoparticles’ concentration and on the stability of colloidal precursor solution have been evaluated and will be discussed in the present work. [1] V. Pinto, et al .IEEE Trans. Appl. Supercond. 28, (4) 2018. DOI: 10.1109/TASC.2018.2800765

A..34
17:45
Authors : G.A. Kaptagay, Yu.A.Mastrikov, N.A.Sandibaeva, A.S.Kopenbaeva, G.O.Baitasheva
Affiliations : Kazakh State women’s teacher training university, Aiteke bi str., 99, Almaty Republic of Kazakhstan, Institute of Solid State Physics, University of Latvia, Kengaraga str. 8, Riga, Latvia

Resume : Today, we observe worldwide significant progress in the development of the transition to "green" energy. Such development in the countries is connected not only with the strongest negative impact on the environment from emissions, but also with the advanced strategic development of the economies of these countries in this area. Possession of such technologies makes the country's economy more attractive to investments in the energy sector. This work is directed to studying of photocatalytic properties of oxide of cobalt for the purpose of decrease in energy losses for release of hydrogen as a result of splitting of water and will bring new paradigms in fundamental understanding of chemical processes of release of oxygen and hydrogen and also the water oxidation mechanism and also will open new ways of monitoring by these reactions. In the first part we plan to find the most energetically favourable positions of N atoms in the host material. Several calculations with different concentration of the dopant have to be carried out in order to check stability of doped material. Lattice constant expected to change with the concentration. It is important for the further surface and defect calculations to have a perfectly optimized bulk structure. For the concentration, with the most stable energetics, we create a surface. Surface model needs to be optimized. We have to find the reasonable number of crystallographic planes, and the size of vacuum gap between the terminating planes. Also, possible reconstruction of the surface due to the dopant has to be considered as well as different terminations. On the optimized surface we model all steps of the OER. This requires selection of the most favourable adsorption sites. Then obtained adsorption energies are used in thermodynamics calculations. Thermodynamic data describes the reaction under study. Our next step is data analysis and comparison to the available experimental results. It is also important to compare results of the modelling with other theoretical studies in order to check the limitations of the applied methods. Co3O4 is easily available and thermodynamic stable oxide in a wide interval of temperatures and conditions with rich concentration of oxygen. Crystal Co3O4 has structure of spinel (spatial group) with the semi-filled knots in an octahedral environment of Co3+, and cobalt ions in a tetrahedral environment of Co2 +. The originality and novelty of this project is distinguished with several distinctive features. Sew the main advantage the strategy of a research it is (1) association of new methods of the oxides which aren't used up to this point in systematic and extensive studying for photocatalytic water splitting; (2) use of the integrated theoretical, computing and experimental methods in total with a development method; and (3) careful analysis fundamental crystal interaction, defects, and chemical reactions with gradually increasing system complexity. We hope that only such detailed and systematic approach is capable to introduce a new paradigm in our understanding of photocatalytic properties of the developed oxides, explaining the nature and mechanisms of reactions of release of oxygen and hydrogen, and opening a role of defects in the course of water oxidation. Successful submission of this project will open a way for chemists and engineers in development of inexpensive and effective cells of splitting of water. Development of such devices (schemes, projects) will globally influence modern production of electric forces. 1. M.Garcia-Mota, A.Vojvodic, H.Metiu, I.C.Man, H.-Y. Su, M. Bajdich, J. Rossmeisl, Jens K. Norskov. ChemCatChem 3 (2011), 1607. 2. X.L.Xu, J.Q.Li. Surface Science.605 (2011) 1962. 3. M. Bajdich, M.Garcia-Mota, A.Vojvodic, Jens K. Norskov and A.T.Bell. J. Amer. Chem. Soc. (2013).

A..35
17:45
Authors : F. Rigoni (a), P. Ghamgosar (a), S. You (a), I. Dobryden (b), A.L. Pellegrino (c), I. Concina (a), N. Almqvist (a), G. Malandrino (c), A. Vomiero (a)
Affiliations : (a) Department of Engineering Sciences and Mathematics, Division of Materials Science, Luleå University of Technology, 971 87 Luleå, Sweden; (b) Division of Surface and Corrosion Science, KTH Royal Institute of Technology, Sweden; (c) Dipartimento Scienze Chimiche, Università degli Studi di Catania, INSTM UdR-Catania, Viale A. Doria 6, Catania, 95125

Resume : Crucial investigation on nanoscale featured systems for next-generation energy harvesting and storage, should settle material properties with high spatial resolution. Advanced atomic force microscopy (AFM) techniques allow to obtain functional imaging of surfaces, beyond morphology information. In this work, we present ZnO-Cu2O core-shell nanowires (NWs), investigating the electrical properties at the nanoscale and operating as fast and stable self-powered photodetectors. Hydrothermally grown n-type ZnO NWs were conformal covered by different thicknesses of p-type copper oxide layers through metalorganic chemical vapor deposition. They present a photoresponsivity at 0V bias voltage up to 7.7 µA/W and a very fast time response ?0.09 s, due to the presence of the p-n junctions, which enables fast exciton separation and charge extraction. In addition to macroscopic electrical characterization under light illumination, we apply conductive AFM and scanning spreading resistance microscopy which provides local potential and resistance mapping, essential in this research to understand the relation between energy conversion and morphological and electrical properties, towards the development of stable, high-efficiency and large-scalable p-n heterojunction. These results represent a significant advancement in the development of self-powered photodetectors, highlighting the role of nanoscale characterization to maximize device performances.

A..36
17:45
Authors : Esteban Ojeda-Durán, Karim Monfil Leyva, José Alberto Luna López, Edgardo Saucedo.
Affiliations : CIDS-Benemérita Universidad Autónoma de Puebla; CIDS-Benemérita Universidad Autónoma de Puebla; CIDS-Benemérita Universidad Autónoma de Puebla; Institut de Recerca En Energía de Catalunya (IREC).

Resume : The research on semiconductor materials for solar cells is one of the main topics worldwide due to the interest on renewable energy, specifically to harvest solar energy. Currently, the ternary semiconductor Cu2SnS3 (CTS) has been studied to be applied on solar cells as p-material. The CTS material shows a high absorption coefficient (104 cm-1) and a bandgap varying from 0.9 eV to 1.5 eV. This material is a cheap alternative to play an important role in solar cells, besides the copper, tin and sulfur are abundant materials in the earth. The CTS could be obtained by sputtering, spray pyrolysis (ultrasonic and pneumatic) and chemical bath deposition. However, a spray pyrolysis system is an attractive and cheap technique that could be used to develop CTS films without the need to apply any kind of annealing. The main parameters of the spray pyrolysis system are the molarity of the solution, the flux to transport the cloud (in the case of ultrasonic system) and the temperature of deposition. In this work, we report a study of the optical and electrical properties of CTS (Cu2SnS3 and Cu4Sn7S16) and how we can obtain the Cu2SnS3 material departing from the Cu4Sn7S16 phase. We mixed Copper(II) chloride dihydrate, Tin(II) chloride dihydrate and Tiourea to prepare a chemical solution and controlling the molarity to obtain the Cu4Sn7S16 phase. A deposition temperature of 365°C was used to obtain all the samples. Finally, the Cu2SnS3 phase was obtained applying a thermal annealing of 245°C and 285 °C to the films in N2 ambient. Step measurements were applied to calculate the thickness of our films. X-ray diffraction measurements were obtained from all films and the spectra showed the characteristic peaks corresponding to CTS phase. The Raman spectroscopy showed the characteristic peaks of Cu4Sn7S16 and Cu2SnS3 in agreement with the X-ray diffraction spectra. UV-Visible spectrophotometry showed the transmittance spectra of CTS films. We used the Tauc plot to obtain the bandgap of the CTS films. SEM images were obtained from CTS films surface to corroborate the presence of clusters or grains and to calculate the surface roughness. Hall effect was used to obtain the quantity of charge carriers of the CTS film. Optical characteristics of CTS films obtained by ultrasonic spray are suitable to apply this kind of film as solar radiation absorbing layer.

A..37
17:45
Authors : Yeokyung Yang, Mi Ju Kim, Cham Kim*
Affiliations : Yeokyung Yang(DGIST); Mi Ju Kim(Keimyung University); Cham Kim(DGIST, *corresponding author)

Resume : Lithium ion batteries, mainly utilized as small power sources for portable electronic devices, have been recently applied to greater power sources for electric vehicles and energy storage systems; thus, it is required to develop the batteries with high energy density. The simplest way to enhance the batteries’ energy density is increasing the loading amount of electrode active materials; however, it is somewhat impractical because the transport of lithium ions can be greatly disturbed in the charge/discharge process, resulting in severe reduction of current output. To enhance the lithium ion transport in electrode active materials, several research groups have attempted to control crystal orientation of the materials using a magnetic field. The previous studies reported the crystal alignment of cathode or anode active materials based on their magnetic properties but no consideration was given to prove the magnetic properties, which are susceptible to an external magnetic field to decisively cause the crystal alignment. In the present study, we investigated the magnetism and magnetic susceptibility of the most representative cathode active material, LiCoO2 (LCO) and considered how these properties work on the crystal alignment. Relevant information was usefully applied to designing the crystal alignment process using a magnetic field, thus affording a crystal aligned LCO, which potentially facilitates enhanced conduction of Li ions during charge/discharge process in LIB

A..38
17:45
Authors : C.H.M. van Oversteeg (a,b), G. Wang (a), K.W Bossers(a), E. G. Heuven(a), C. de Mello Donegá(b), P.E. de Jongh(a)
Affiliations : (a) Inorganic Chemistry and Cataylsis, Debye Institute for Nanomaterials Science, Utrecht University, the Netherlands (b) Condensed Matter and Interfaces, Debye Institute for Nanomaterials Science, Utrecht University, the Netherlands

Resume : CuS is attracting much attention for application in photocatalysis. Here, we present a new strategy to prepare stable and photoactive CuS nanoparticles supported on SiO2. The photocatalysts were prepared via impregnation of porous SiO2 with a copper nitrate solution, followed by heat treatment and conversion to SiO2-supported CuS by sulfidation. Rhodamine B, malachite green and methylene blue were all degraded effectively in the presence of 7 and 17 nm CuS on SiO2 under visible light illumination. A concentration of 50 mg/L SiO2 supported CuS gave degradation rates of the order of 10-8 M min-1 under 100 mW cm-2 illumination with simulated solar light. The rate and pathway of rhodamine B degradation were strongly pH dependent: below pH 6-7 de-ethylation took place, while at and above pH 6-7 ring opening was observed, with the photodegradation rate decreasing with increasing pH. When compared to non-supported CuS, an enhancement of the catalytic performance 2 orders of magnitude was observed for the supported CuS. Quantitative dye adsorption studies indicate that the enhancement in the photocatalytic activity is most likely due to the effective concentration of dye molecules in the nanopores of the SiO2 close to the CuS photocatalyst. The observed enhancement of the photocatalytic rates when using CuS on nanoporous supports is likely to be of general relevance for the photocatalytic removal of low concentrations of contaminants from aqueous solutions.

A..39
17:45
Authors : Jaemin Jung, Junghyo Nah, Kyung Tae Kang, Min Hyung Lee
Affiliations : Department of Applied Chemistry, Kyung Hee University, Yongin, Gyeonggi 17104, Korea; Department of Electrical Engineering, Chungnam National University, Daejeon 34134, Korea; Department of Applied Chemistry, Kyung Hee University, Yongin, Gyeonggi 17104, Korea; Department of Applied Chemistry, Kyung Hee University, Yongin, Gyeonggi 17104, Korea

Resume : We report simple and reliable fabrication method of reduced graphene oxides on selective locations using laser-assisted photothermal reduction. The rGO/GO patterns can be designed into various geometries using conventional imaging software for specific applications in energy and biology. As a demonstration, micro-scale interdigitated electrodes of rGO/GO with in-situ crystallized ZnO during photothermal reduction were fabricated and exhibited enhanced supercapcitor performance. Furthermore, we describe a single-step and chemical-free patterning method to generate micropatterned in vitro neuronal networks on chemically unmodified reduced graphene oxide formation, thanks to submicron-scale surface roughness that promotes neuronal adhesion and guides neurite outgrowth.

A..40
17:45
Authors : E. Napolitano 1, L. Fernández Albanesi 2, F.C. Gennari 2, E. Suard 3, S. Garroni 4,5, P. Moretto 1, S. Enzo 6
Affiliations : 1-European Commission, Joint Research Centre (JRC), Directorate for Energy, Transport and Climate, Energy Storage Unit, Westerduinweg 3, NL-1755 LE Petten, The Netherlands; 2-Centro Atómico Bariloche (CNEA) e Instituto Balseiro (UNCuyo), R8402AGP Bariloche, Río Negro, Argentina; 3-Diffraction group, Institute Laue-Langevin (ILL), 71 avenue des Martyrs, 38000 Grenoble, France; 4-International Research Centre in Critical Raw Materials-ICCRAM, University of Burgos, Plaza Misael Banuelos s/n, 09001 Burgos, Spain; 5-Advanced Materials, Nuclear Technology and Applied Bio/Nanotechnology. Consolidated Research Unit UIC-154. Castilla y Leon. Spain. University of Burgos. Hospital del Rey s/n, 09001 Burgos, Spain; 6-Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari and INSTM, Via Vienna 2, I-07100 Sassari, Italy;

Resume : Alkali amides and alkaline-earth materials show promising gravimetric and volumetric hydrogen densities together with remarkable reversibility in terms of hydrogen release and up-take processes [1]. Recently, with the intent to improve sorption characteristics and to modify thermodynamic properties of the well-known LiNH2-LiH system, studies on AlCl3-doped composite describing the formation of new Li-Al-N-H-Cl crystallographic phases were reported in literature [2-3], however their crystal structures are not yet established. In order to investigate the role of AlCl3 in affecting hydrogen absorption-desorption properties, LiNH2-LiH-AlCl3 composite was prepared by ball milling and subjected to sorption investigations, thermo-gravimetric analyses and in-situ laboratory X-ray diffraction characterization. Also, one of the unclassified Li-Al-N-H-Cl composites was synthesized from deuterated precursors, and neutron plus in-situ laboratory X-ray diffraction data were combined with the so called ab-initio numerical methods [4] with the objective to establish its crystal structure. Also, preliminary cyclic voltammetry analyses have been performed to test the Li-Al-N-H-Cl systems electrochemical activity. References [1] P. Chen, et al., Nature 420 (2002) 302. [2] Fernández Albanesi et al., Int. J. Hydrogen Energy 38 (2013) 12325-12334. [3] L. Fernández Albanesi, et al., Dalton Trans., 2016,45, 5808-5814 [4] R. Cerný, Zeit. Kristall. - Cryst Mat. 223 (2008) 607-616.

A..41
17:45
Authors : Iuliana Mihalache, Antonio Radoi, Mihaela Kusko
Affiliations : National Institute for Research and Development in Microtechnologies (IMT), 077190, Bucharest, Romania

Resume : Silicon nanowires have emerged as a promising candidate for photovoltaic applications therefore devices integrating vertically aligned SiNWs with unique optical and electrical properties are subject to continuous improvement of performance. In this work, a nanoporous carbon material was synthesized using one-pot microwave-assisted hydrothermal method and electrodeposited on the p-SiNWs array under constant applied potential of ?2 V for 300 s. Top and bottom electrical contacts were achieved using indium tin oxide and Au, respectively. The proof-of-concept C-coated p-SiNW solar cell achieved superior device performance compared to the reference cell by increasing Jsc from 3.61 mA/cm2 to 12.17 mA/cm2 and Voc from 0.22 V to 0.31 V and reaching a power conversion efficiency (PCE) of 1.42 %. Furthermore, the influence of carbon coating on the solar cell performance was explored by means of electrochemical impedance spectroscopy and intensity modulated photocurrent /photovoltage spectroscopy.

A..42
17:45
Authors : Aliya Mukanova(1), Arailym Nurpeissova(1), Sung-Soo Kim(2), Maksym Myronov(3), Zhumabay Bakenov(1)
Affiliations : (1) School of Engineering, National Laboratory Astana, Nazarbayev University, 53 Kabanbay Str., 010000 Astana, Kazakhstan. (2) Graduate School of Energy Science and Technology, Chungnam National University, 99 Daehak ave. , Yuseong-gu, Daejeon, 34134, South Korea. (3) Physics Department, University of Warwick, Coventry CV4 7AL, United Kingdom.

Resume : Si-based thin film is a promising candidate for anode material for Li-ion batteries due to its high theoretical capacity of 3700 mAh/g, low potential vs. Li+/Li. Flat Si thin films with thickness more than 200 nm show a rapid capacity fade due to film delamination from current collector and further electrical contact loss. 3D structure of Si anode can decrease the film damage. Developing of 3D structure for Si material is doomed to failure because in case of significant volume change any patterns experience destruction upon long cycling. Deposition of Si film on 3D current collectors is able to solve the issues with expansion more effectively. Herein, it is reported on facile and cheap venue to prepare well working Si thin film anodes. Present work performs the study of the electrochemical performance of the Si thin film anode prepared by means of magnetron sputtering. 3D copper substrate prepared by etching in ammonia solution was used as current collectors for Si thin film. The occurred structural changes of amorphous Si thin film anodes upon lithiation and the description of SEI layer formation features was investigated by in situ Raman spectroscopy. The doping effect on the electrochemical performance of Si film anode was studied with undoped and n-/p-type doped samples. The influence of vinyl carbonate electrolyte (3%, 6%, 9%) additive demonstrated the improvement of the cell performance. All electrochemical cycling test results as well as synthesis routes and characterization details will be presented at the conference.

A..43
17:45
Authors : Bronisław Psiuk
Affiliations : Pracownia Badań Strukturalnych, Termicznych i Termomechanicznych

Resume : Development of solar energy, is presented as one of the most important challenges posed ceramics in the twenty-first century. Realization of this requirement is associated with the searching of materials absorbing electromagnetic waves in the field of ultraviolet and visible light. One of the potential practical applications, using sunlight is photodegradation of organic impurities, in this phenol compounds in aqueous solutions. The most common compounds of the present heterogeneous catalytic systems are TiO 2 based materials. However, in order to reduce its energy gap (3.2eV) and activation also visible light for the mentioned processes the modification of this compound are performed. Another photocatalytic compouds, in this perovskite structure materials, are also studied. The work shows light absorption abilities of KNbO3 and SrTiO3 doped with V and Fe. The pure and doped samples were investigated especially with using UV-VIS spectrometry and additionaly by XRD, SEM and XPS methods. Photocatalytic properties have been tested in practice by examining the degradation of phenol in aqueous solutions. Both dopants caused improving of the absorption as compared to the undoped samples. The results showed also that the ability to absorb light in a wide wavelength range is not a sufficient condition to improvement of photocatalytic activities in practice.

A..44
17:45
Authors : Di Girolamo Diego, Piccinni Marco, Matteocci Fabio, Marrani Andrea, Di Carlo Aldo, Dini Danilo
Affiliations : Dept. of Chemistry, University of Rome “La Sapienza”, P.le A. Moro 5, 00185 Rome,Italy ; Dept. of Chemistry, University of Rome “La Sapienza”, P.le A. Moro 5, 00185 Rome,Italy ; Centre for Hybrid and Organic Solar Energy (CHOSE), Dept. of Electronic Engineering, University of Rome “Tor Vergata”, Via del Politecnico 1, 00133 Rome, Italy ; Dept. of Chemistry, University of Rome “La Sapienza”, P.le A. Moro 5, 00185 Rome,Italy ; Centre for Hybrid and Organic Solar Energy (CHOSE), Dept. of Electronic Engineering, University of Rome “Tor Vergata”, Via del Politecnico 1, 00133 Rome, Italy , Department of Semiconductor Electronics and Device Physics, National University of Science and Technology,Moscow 119049, Russia ; Dept. of Chemistry, University of Rome “La Sapienza”, P.le A. Moro 5, 00185 Rome,Italy

Resume : Diffused exciting around lead halide perovskite photovoltaics is largely justified by skyrocketing increase in power conversion efficiency up to certified 22.7%. The race for record efficiency is far from the end, but research community nowadays is well aware that more important criticality need to be addressed. Unstability and scale-up losses of perovskite PV technology are fundamental limitation toward feasibility of real-world application. Selective contacts quality is a sine qua non and metal oxides, mainly TiO2, SnO2 and NiO, guarantee state of the art efficiency and stability. Processing of metal oxides thin film is at the heart of technology advancement with high interest application including catalysis, energy and electronics. Electrodeposition is one of the most powerful and intriguing deposition technique for metal oxides, due to reproducibility, processing from water, low cost, scalability and the high purity of deposit due to highly selective driving force for film nucleation and growth. We report anodic electrodeposition of NiO on TCO substrates and their implementation as hole selective contact in p-i-n PSC. Detailed investigation through nucleation-growth modelling of electrodeposition mechanism shed light on mass-transport limited process overlapping with oxygen evolution. The effect of electroplating parameters like the concentration and nature of support electrolyte, temperature and applied potential is thoroughly investigated. Deposition efficiency increases at higher temperature while suppor rt electrolyte suppress the deposition process due to nickel cation complexation in solution. Devices based on CH3NH3PbI3 processed in air employing electrodeposited NiO within the architecture ITO|NiO|PSK|PCBM|BCP|Ag deliver a stabilized efficiency up to 16%

A..45
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08:30
Authors : Taylor D. Sparks, Leila Ghadbeigi, Anil V. Virkar
Affiliations : University of Utah; University of Utah; University of Utah;

Resume : A two phase Na-β”-alumina+YSZ mixed Na+ and O2- ion conducting composite was fabricated by first making a sintered dense composite containing α-alumina and YSZ and then heat treatment in packed Na-β”-alumina powder at 1450C. platinum paste was applied on both side of the sample as an electrode. the sample was tested under different chemical potentials of O2 and Na2O. Na2O chemical potential difference was applied using (α+β) and (β +β”) alumina powders on each side of the sample. The open circuit potential of the sample was measured over a temperature range from 500C-900C. Under different chemical potentials of Na2O, an OCV of about 30-75mV was measured. This showed the ratio of activity of Na in (β +β”) to (α+β) to range from 1.6-3.1. Under different chemical potentials of O2(fuel cell loading) the sample didn’t show the Nernst potential of oxygen initially. After repeating experiment only Nernst potential of oxygen was observed. Experiment repetition resulted in sample degradation on anode side. XRD and EDS analysis confirmed decomposition of Na-β”-alumina to α-alumina on the anode side. The degraded sample exhibited lower electrolyte conductivity with higher activation energy of about 0.36 eV compared to the refrence samples. The total conductivity of the sample including interphases showed an Arrhenius behavior with activation energy of 1.08 eV corresponding to YSZ Arrhenius behavior.

A..46
08:45
Authors : Andrew Larsen, Ekraj Dahal, Justin Paluba, Karen Cianciulli, Ben Isenhart, Michael Arnold, Bin Du, Yu Jiang, Matthew S. White
Affiliations : A. Larsen; B. Isenhart; M. Arnold; B. Du; Y. Jiang; M. White - Department of Physics, University of Vermont, 82 University Pl., Burlington, VT 05405 E. Dahal; J. Paluba - Materials Science Program, University of Vermont, 82 University Pl., Burlington, VT 05405 K. Cianciulli - Asheville School, 360 Asheville School Rd., Asheville, NC 28806

Resume : We present a nonlinear impedance spectroscopy technique and demonstrate its ability to directly measure nonlinear processes including electron-hole recombination and space charge effects in organic-semiconductor-based diodes and MIS capacitors. The method is based on Fourier analysis of the measured higher harmonic current response to an AC voltage signal. Characterization of the higher harmonic response allows nonlinear impedance spectroscopy to measure material and device properties over a wide range of frequencies, which would otherwise be impossible using conventional impedance spectroscopy. As the higher harmonic signals are purely a product of nonlinear processes, they are independent of the linear device capacitance and resistance. This allows space charge and recombination effects to be investigated at several orders of magnitude higher frequency without fitting to an equivalent circuit model.

A..47
09:00
Authors : Tobias Leonhard(1,2), Holger Röhm(1), Alexander Schulz(1), Susanne Wagner(2,3), Fabian Altermann(3), Wolfgang Rheinheimer(3), Michael J. Hoffmann(2,3), Alexander Colsmann(1,2)
Affiliations : (1) Karlsruhe Institute of Technology, Light Technology Institute (LTI), Engesserstrasse 13, 76131 Karlsruhe, Germany. (2) Karlsruhe Institute of Technology, Material Research Center for Energy Systems (MZE), Strasse am Forum 7, 76131 Karlsruhe, Germany. (3) Karlsruhe Institute of Technology, Institute for Applied Materials – Ceramic Materials and Technologies (IAM), Haid-und-Neu-Strasse 7, 76131 Karlsruhe, Germany.

Resume : The microstructure of absorber layers is pivotally important for all thin-film solar technologies. Despite its unprecedented performance development in recent years, little is known about the microstructure of metal-halide perovskites and its effect on the macroscopic device performance. Among the remarkable properties of MAPbI3 is its ferroelectricity. If the ferroelectric polarization influences the charge carrier recombination and transport, as was predicted by simulations, then the orientation and shape of polarized domains within grains would directly influence the device performance. In turn, this renders engineering of the grain orientation and size a pivotal parameter for the optimization of perovskite solar cells which is not yet commonly investigated in most perovskite solar cell studies. In this work, we report on a combined electron backscattered diffraction (EBSD), piezo-response force microscopy (PFM) and kelvin probe force microscopy (KPFM) study to spatially resolve and correlate the crystal orientation and ferroelectric polarization with sub-micrometer resolution. These tools are indispensable for the future relation of the microscopic structure to the optoelectronic properties of perovskite devices as they allow to monitor device optimization and to understand fundamental processes of perovskite solar cells. Therefore, we expect EBSD and PFM to become the most often employed characterization techniques in the future for the correlation of microscopic structure and macroscopic device performance. Their strong correlation allows to draw conclusions about the microstructure from ferroelectric features and, likewise, to derive the ferroelectric polarization from crystallographic observations. Understanding the microstructure would not least be the key to future ab-initio engineering of new (non-toxic) and highly efficient perovskite solar cells.

A..48
09:30
Authors : Christian Andres, Antonio Cabas-Vidani, Yaroslav E. Romanyuk, Ayodhya N. Tiwari
Affiliations : Laboratory for Thin Films and Photovoltaics, Empa-Swiss Federal Laboratories for Materials Science and Technology, Ueberlandstr. 129, 8600 Duebendorf, Switzerland

Resume : The earth-abundant nature of the Cu2ZnSn(S,Se)4 (CZTS) material maintains the ongoing research interest to replace the more mature thin film technologies such as Cu(In,Ga)Se2 and CdTe. While the latter ones exceed conversion efficiencies of 22%, the world record for kesterite is still at 12.6% since 2013. The major bottlenecks of the kesterite technology are high open-circuit voltage deficit and low fill factor. This contribution will summarize the state-of-the-art of the kesterite research, state recent developments and present future prospects for overcoming limiting bottlenecks. Possible origins for the low open-circuit voltage are e.g. grain boundary recombination, Cu/Zn disorder and interface recombination. To enhance grain coarsening and to reduce the amount of grain boundaries, alloying with Ge can be applied. The issue of disorder and/or band tailing can be tackled by cation substitution with Ag, Cd and Ge. Modifications at the front and back interfaces by e.g. band gap gradients are presented. Alloying with Cd and Ge can be applied to increase the band gap at the front and back interface, respectively.

A..49
10:00
Authors : Ned Thaddeus Taylor, Steven P. Hepplestone
Affiliations : Department of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom

Resume : Photoelectrolysis offers a mechanism for long term, clean energy storage via hydrogen production. Recently, several perovskites have shown promise for this application [1,2]. Perovskites, ABX3, are highly customisable, with several options for the A, B and X ions. This results in a large range of tailorable properties, such as the band gap and the relative stability, making them highly suitable for photoelectrolysis. The bulk properties of many perovskites have been explored [2,3]. However, their potential for photocatalysis is mainly governed by surfaces, making their study critical. Using techniques such as density functional theory, we develop a large scale theoretical screening process to tackle the large range of candidates for A, B and X. Here we present a programme for screening the list of potential perovskites for water splitting. From this screening, we select a subset to examine, CaSnO3, SrSnO3, BaSnO3 and SnTiO3. We examine the effect of oxygen and hydrogen adsorptions on the surface, band alignment to the evolution potentials, and customising the surface properties by adding various oxides coatings. Hence, we can not only build a good understanding of a material's use for water splitting, but also show how to optimise surface properties to make a better photoelectric material. 1. Int. J. Hydrogen En., 2002, 27, 991-1022 2. Energy Environ. Sci., 2012, 5, 9034-9043 3. J. Mater. Res., 2017, 22(7), 1859-1871

A..50
10:15
Authors : Tahmida N. Huq [1], Rosie Baines [1], Robert L.Z. Hoye [2], Pin-Chun Shen [3], and Judith L. MacManus-Driscoll[1]
Affiliations : [1]Department of Materials Science and Metallurgy, University of Cambridge; [2] Cavendish Laboratory, University of Cambridge; [3] Research Lab of Electronics, Massachusetts Institute of Technology (MIT)

Resume : Bismuth oxyiodide (BiOI) has recently been shown to be a promising lead-free alternative to halide perovskites for photovoltaics. BiOI replicates the electronic structure of halide perovskites, has a high dielectric constant and is tolerant to anti-site and vacancy defects. Notably, BiOI has been found to be at least two orders of magnitude more air-stable than methylammonium lead iodide.[1] Although record external quantum efficiencies of 80% have been achieved, the power conversion efficiency (1.8%) is limited by inefficient hole extraction in a ITO|NiOx|BiOI|ZnO|Au device stack, due to downwards band-bending of BiOI at the interface with NiOx. In this work, 2-d molybdenum sulphide (MoS2) is investigated as an alternative hole transport layer. Through plasma treatment, the work function is increased from 4.2 to >5.1 eV. Through a detailed photoemission spectroscopy investigation, it is found that this results in upwards band-bending of BiOI next to the MoS2 interface, which can enable improved charge extraction. We discuss control of the preferred orientation of BiOI on MoS2 through chemical vapour transport to achieve devices with improved charge extraction and efficiency. [1] R. L. Z. Hoye, L. C. Lee, R. C. Kurchin, T. N. Huq, K. H. L. Zhang, M. Sponseller, L. Nienhaus, R. E. Brandt, J. Jean, J. A. Polizzotti, A. Kursumović, M. G. Bawendi, V. Bulović, V. Stevanović, T. Buonassisi, J. L. Macmanus-Driscoll, Adv. Mater. 29, 1702176, (2017) DOI 10.1002/adma.201702176.

A..51
11:00
Authors : Julien Nguyen, Benoit Fleutot, Raphaël Janot
Affiliations : Laboratoire de Réactivité et Chimie des Solides (LRCS), UMR 7314 CNRS Université de Picardie Jules Verne, 80039 Amiens, FRANCE

Resume : Since the discovery of the high ionic conductivity of the LiBH4 hexagonal phase above 120°C and its possible use as solid-state electrolyte for different Li-based batteries (Li-ion and Li-S), various borane-based compounds with high Li+ and Na+ ionic conductivities have been reported. In our group, we have prepared a new family of compounds with high Li+ ionic conductivities, namely the LiM(BH4)3Cl phases with M being a lanthanide. These LiM(BH4)3Cl phases, prepared by ball-milling of LiBH4 and MCl3, crystallize in a large cubic unit cell with a distorted M4Cl4 core and Li occupies partially a large Wyckoff site and, thus, exhibits a fairly high mobility. By Electrochemical Impedance Spectroscopy (EIS), values of ionic conductivities around 10-4 S/cm were measured at room temperature and close to 10-2 S/cm at 100°C. The electrochemical stability of these phases was then carefully investigated using either lithium or In-Li alloy as the negative electrode. We will show that these phases can be used as solid electrolyte of Li-S batteries with fairly good electrochemical performances. The use of a solid electrolyte is very relevant for Li-S batteries since it allows the suppression of the polysulphides dissolution and therefore hinders the subsequent self-discharge and fast capacity fading. The use of borane-based compounds as solid-state electrolytes of Mg-ion batteries will be also discussed. This research area is very challenging because Mg2+ is a very polarizing cation and therefore is most of the time strongly bonded to a solid lattice. We will see that the particular dynamics of the BxHy polyanions allows the preparation of solid phases with a significant Mg2+ mobility.

A..52
11:30
Authors : Yuan Ma1,2, Alberto Varzi1,2, Stefano Passerini1,2
Affiliations : 1. Helmholtz Institute Ulm (HIU), Helmholtzstrasse 11, D-89081 Ulm, Germany 2. Karlsruhe Institute of Technology (KIT), P.O. Box 3640, D-76021 Karlsruhe, Germany

Resume : Metal oxides/sulfides are appealing anode materials for both lithium and sodium ion batteries (LIBs and SIBs), due to the large natural abundance and high theoretical capacity arising from conversion and alloying reaction. However, these classes of compounds also suffer from several issues, especially the severe volume variation, resulting in poor cycling stability. Metal-organic frameworks (MOFs) have attracted great interest in the energy storage field. In particular, MOF-derived metal oxides/sulfides are appealing anode materials for both LIBs and SIBs due to their porous and hierarchical structure. The peculiar features of MOFs derivatives provide reduced diffusion paths for ions, thus improving the rate capability. Additionally, the carbon component, derived by carbonizing the organic ligand, can alleviate the volume variation to increase the cycling stability. Here we report about the developed ZnO/Zn2Fe2O4/N-doped C micro-polyhedron with hollow structure by annealing bimetallic MOF precursor (ZIF-ZnFe). Owing to its unique hollow structure and N-doped carbon matrix, the resulting material shows excellent lithium storage properties. Furthermore, using Co-based MOF (ZIF-67) as parental compound, CoS2/carbon composite can be obtained. The as-obtained material exhibits remarkable bifunctional energy storage performance as anode material for both LIBs and SIBs. For both material, in situ XRD measurements have been employed to unveil the detailed electrochemical mechanism.

A..53
11:45
Authors : P. Jezowski (1), E. Deunf (2), O. Crosnier (2), P. Poizot (2), T. Brousse (2), F. Béguin (1)
Affiliations : (1) Poznan University of Technology, Institute of Chemistry and Technical Electrochemistry, ul. Berdychowo 4, 60-965 Poznan, Poland; (2) Institut des Matériaux Jean Rouxel, CNRS UMR 6502—Université de Nantes, 2 rue de la Houssinière BP32229, 44-322 Nantes Cedex 3, France

Resume : The lithium-ion capacitor (LIC) is a hybrid device which incorporates an electrical double-layer (EDL) electrode made of activated carbon, a negative electrode made of lithiated graphite intercalation compound (GIC), and uses a solution of a lithium salt as electrolyte, generally LiPF6 in EC:DMC. The activated carbon electrode works in a wide potential range up to ca. 4.0 V vs. Li/Li+ while the GIC operates in a narrow potential range ca. 0.1 V vs. Li/Li+. The high voltage of the LIC together with its nearly doubled capacitance as compared to traditional EDLCs enables the system to display much higher energy density, while keeping the power performance of the former. However, the necessity of intercalating lithium into graphite before operating the LIC complicates the system construction and may reduce its performance. Among the possible strategies, the implementation of sacrificial lithiated materials in the positive electrode enables to simplify the device construction. Taking into account the foregoing, our presentation will introduce 3,4 -dihydroxybenzonitrile dilithium salt as sacrificial material of high irreversible capacity to build an environmentally friendly LIC, and the performance of this system will be shown [1]. This research was financially supported by the Foundation for Polish Science in the frame of the Welcome programme. The authors wish also to thank the French Ministère des Affaires Etrangères and the Polish Ministerstwo Nauki i Szkolnictwa Wyższego (Polonium # 31438NH). [1] P. Jezowski, E. Deunf, O. Crosnier, P. Poizot, F. Béguin, T. Brousse, Nat. Mat., 4 (2018) 12609

A..54
12:00
Authors : Alexander Hoefling,§ Dan Thien Nguyen,# Pouya Partovi-Azar,% Daniel Sebastiani,% Patrick Theato,§ Seung-Wan Song,# and Young Joo Lee‡*
Affiliations : §Institute for Technical and Macromolecular Chemistry, University of Hamburg, Hamburg, Germany #Department of Chemical Engineering and Applied Chemistry, Chungnam National University, Daejeon, Republic of Korea %Institute of Chemistry, Martin-Luther-University Halle-Wittenberg, Halle (Saale), Germany ‡Institute of Inorganic and Applied Chemistry, University of Hamburg, Hamburg, Germany

Resume : Rechargeable lithium-sulfur (Li-S) batteries have drawn significant attention as alternatives to the current lithium ion batteries (LIB). Sulfur-copolymers are promising cathode materials in Li-S batteries, providing stable cycling performance and enabling mass production due to the facile synthetic route. However, the redox mechanisms of these materials are not well known owing to the difficulty in characterizing amorphous structures and identifying individual ionic species in both solid and solution phases. We use solid-state NMR techniques as well as electrochemistry to explore the structural evolution of the prototype S-copolymer cathodes, sulfur-diisopropenylbenzene copolymers (poly(S-co-DIB)) during cycling. We demonstrate that polysulfides with different chain lengths can be distinguished by solid state NMR spectroscopy, revealing that the structure of the S-copolymers can be tuned in terms of polysulfide chain lengths and resulting reaction pathways during electrochemical cycling. The reaction intermediates soluble in the electrolyte phase and remaining in the solid phase can be identified. Our study shows that the stable performance of these cathodes originates from the role of organic moieties acting as anchors that fixate polysulfides to the polymeric network via C-S bonds formation, thus preventing their diffusion into the electrolyte. Stable cyclability at high C-rate will be demonstrated and correlation between structures of anchoring site-battery performance will be proposed.

A..55
12:15
Authors : Shutao Wang, Kostiantyn V. Kravchyk, Alejandro N. Filippin, Ulrich Müller, Ayodhya N. Tiwari, Stephan Buecheler, Maryna I. Bodnarchuk, Laura Piveteau, Frank Krumeich and Maksym V. Kovalenko
Affiliations : Laboratory of Inorganic Chemistry, Department of Chemistry and Applied Bioscience, ETH Zürich, CH-8093 Zürich, Switzerland Laboratory of Thin Films and Photovoltaics, Empa – Swiss Federal Laboratories for Materials Science and Technology, CH-8600 Dübendorf, Switzerland

Resume : The future success of renewable but intermittent energy sources such as solar and wind will largely depend on the availability of low-cost, TWh (terawatt-hour)-level stationary storage systems. Furthermore, there is a pressing need to locally and globally stabilize and diversify the electric grid. Large stationary installed batteries are expected to play a major role in this regard, in addition to conventional storage means such as pumped hydro. For ensuring their long-term sustainability, electrochemical storage technologies shall exclusively comprise highly abundant chemical elements. Towards these goals, rechargeable aluminium chloride-graphite batteries make for an appealing option. Aluminium is an abundant element in the earth crust, it is non-toxic and has compared to other metals (apart from lithium) one of the highest energy densities. Combined with AlCl3 (aluminium chloride)-based ionic liquid, aluminium makes for a safe and easy to fabricate anode To start with, we seek to thoroughly test the most basic and inexpensive form of natural graphite—graphite flakes—as cathode materials in such Al-batteries. We find that natural graphite flakes, with minimal processing by sonication, delivered a charge-storage capacity of 150 mAh g-1, at an average voltage of 2 V. We observe that open graphite edges containing flaky particles with preserved pristine crystalline structures (low density of crystal-line defects) are crucial for achieving a high charge-storage. Then, we move to the syn-thetic kish graphite, which is a byproduct of steelmaking, it can be also used as a cathode in AlCl3−GB, we demonstrate that kish graphite exhibits high capacities of ≤142 mAh g-1. The comprehensive characterization of kish graphite flakes and other forms of graphite by X-ray diffraction, Raman spectroscopy, and Brunauer−Emmett−Teller surface area analysis provides solid evidence that the exceptional electrochemical behavior of kish graphite flakes is mainly determined by the high structural order of carbon atoms, a low level of defects, and a unique “crater morphology”. In view of the nonrocking chair operation mechanism of AlCl3−GB, we have obtained energy densities of up to 65 Wh kg-1. In addition, the kish graphite flakes can rapidly charge and discharge, offering high power densities of up to 4363 W kg-1. In additional to focus on the judicious selection of graphite cathode materials to improve the performance of AlCl3-GBs, the major obstacle to commercializing this technology is the lack of oxidatively stable, inexpensive current collectors that can operate in chloroaluminate ionic liquids and are composed of earth-abundant elements. This study presents the use of titanium nitride (TiN) as a compelling material for this purpose. Flexible current collectors can be fabricated by coating TiN on stainless steel or flexible polyimide substrates by low-cost, rapid, scalable methods such as magnetron sputtering. When these current collectors are used in AlCl3-GB coin or pouch cells, stable cathodic operation is observed at voltages of up to 2.5 V versus Al3+/Al. Furthermore, these batteries have a high coulombic efficiency of 99.5%, power density of 4500 W kg-1, and cyclability of at least 500 cycles.

A..56
12:30
Authors : Mahima Sharma1, Kannikka Behl2,Subhasha Nigam2, D.K Avasthi1 *, S.K. Srivastava3, Yogendra Kumar Mishra4, Rainer Adelung4, Monika Joshi1,*
Affiliations : 1Amity Institute of Nanotechnology, Amity University, Noida, Uttar Pradesh, India 2Amity Institute of Biotechnology, Amity University, Noida, Uttar Pradesh, India 3Department of Physics, Indian Institute of Technology Kharagpur, India 4Functional Nanomaterials, Institute for Materials Science, Kiel University, Kaiserstr. 2,24143, Kiel, Germany *Corresponding Author:mjoshi@amity.edu

Resume : Produced water (PW) represents the largest waste stream integrated with oil exploration, which is one of the crucial technical, environmental, health and economical issue. In this study, we report the synthesis of an effective and novel magnetic nanohybrid, ZnO-Tetrapods/Iron Oxide-Nanorods (ZnO-T/Fe2O3-NR)using hydrothermal process. The synthesized nanohybrids was applied as a magnetic adsorbent for remediation of lead (cationic) and chromium (VI) (anionic) metal ions and separation of oil from produced water. The structural, chemical and magnetic characterizations of synthesized nanohybrids were performed using X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), High Resolution-Transmission Electron Microscopy (HR-TEM), Brunauer–Emmett–Teller (BET) analysis, Vibrating Sample Magnetometer (VSM) and X-ray photoelectron spectroscopy (XPS). These characterizations suggested successful preparation of nanohybrids with the coating of Fe2O3-NR on the surface of ZnO-T with great magnetic properties. as-synthesized nanohybrids exhibited enormous surface area and high magnetic saturation value, which confirmed its exceptional adsorption ability and magnetic separation. The treatment capability was investigated in terms of heavy metal ions and oil sorption studies, Total Dissolved Solids (TDS) analysis and Chemical Oxygen Demand (COD) analysis. Subsequently, individual and interaction effects of performance parameters such as pH, contact time, adsorbent dosage, and initial heavy metal ions concentrations were investigated and optimized. The mechanism for the adsorption was explicated by exploring different adsorption kinetics and isotherms models. Interestingly, as-prepared nanohybrids demonstrated extraordinary remediation capacity toward cationic and anionic heavy metal ions, compared to ZnO-T. Overall, the findings inferred that this nanohybrid can be employed for effective water reclamation and remediation. Keyword: Produced Water, Water Reclamation, Remediation, ZnO-T, Iron Oxide Nanorods

A..57
12:45
Authors : Kornel Ocytko
Affiliations : Merck Chemicals Ltd. | Chilworth Technical Centre | University Parkway | SO16 7QD | Southampton | UK

Resume : Stepwise and continuous advances in the field of Organic Photovoltaics allow the transition from a mainly academic environment to a technology with multitude of applications like lightweight and portable electricity supply for internet of things applications (IoT) or building integrated photovoltaics (BIPV), paving the way to its ultimate goal as cheap and environmentally friendly solar energy harvesting method. This is achieved by continuous development in the area of high performing photoactive materials, compatible interlayers and improvement of module stability. A relatively new concept of non-fullerene acceptors brings the technology onto a new level showcasing the potential for cheaper, higher performing materials with tuneable absorption spectra. Merck is a leading supplier of OPV materials enabling >10% efficiencies and the upscale activities driven by growing customer demand yield >1kg batch sizes. The focus lies on solution processable and environmentally friendly materials that enable our customers achieving high reproducibility in a continuous roll-to-roll OPV module fabrication process under ambient conditions. In this talk we will showcase Merck‘s recent development in the field of non-fullerene acceptors in collaboration with academic partners, present the results of material development leading to improved stability under accelerated aging conditions of latest polymers and demonstrate recent exciting public OPV installations implemented in partnership with Merck.

A..58
14:00
Authors : Markéta Zukalová, Barbora Pit?a Lásková, Ladislav Kavan
Affiliations : J. Heyrovský Institute of Physical Chemistry, v.v.i., CAS, Dolej?kova 3, CZ-18223 Prague 8, Czech Republic

Resume : Nanocrystalline Na2Ti3O7 material is prepared by a newly developed sol-gel procedure. The sol-gel made Na2Ti3O7 calcined at 500 °C possesses mesoporous structure and BET surface area of 89 m2 g-1. X-ray diffraction and scanning electron microscopy confirm the presence of sintered nanosheets or very small crystals of the size of 10-20 nanometers with short range ordering. Electrochemical behavior of nanocrystalline Na2Ti3O7 is evaluated by cyclic voltammetry of Na insertion and by galvanostatic chronopotentiometry at different charging rates. The sol-gel made Na2Ti3O7 exhibits improved performance as compared to that of the microcrystalline Na2Ti3O7 prepared by solid state synthesis. Discharge capacities of optimized material at charging rates 1C, 2C and 5C reach 109, 86 and 63 mAh g-1 respectively, with 100% coulombic efficiency and zero capacity drop over 50 cycles after initial conditioning. Excellent performance of Na2Ti3O7_500 is obviously an effect of its large surface area giving rise to predominantly capacitive mechanism of charge storage. Hence sol-gel made nanocrystalline Na2Ti3O7 represents promising anode material for Na-ion batteries due to its charge capacity and outstanding cycling stability. Acknowledgement: This work was supported by the MEYS of the Czech Republic (AdOX, No. 8F15003), by the Grant Agency of the Czech Republic (Contract No. 15-06511S) and by the Ministry of Industry and Trade of the Czech Republic (contract TRIO FV20471).

A..59
14:30
Authors : Nnamdi Samuel, Christopher Castleton, and Ian Shuttleworth
Affiliations : School of Science and Technology, Nottingham Trent University, NG11 8NS, Nottingham, United Kingdom; Department of Industrial Chemistry, Ebonyi State University, PMB 053, Abakaliki, Ebonyi State, Nigeria.

Resume : This work investigates models of Cu/CeO₂(111) nano-composites which have been proposed as replacement anodes for solid oxide fuel cells. We report plane-wave DFT calculations for Cu stripes on the CeO₂(111) surface, as a function of Cu thickness, using LDA+U, with U = 6 eV applied to Ce4f states. Along the [½ 1 0] direction of Cu(111), the Cu stripe is oriented along the [-1 ½ ½ ] direction on the CeO₂(111) surface. Along this direction, the Cu-Cu distance in the Cu stripe and the Ce-O distance in CeO₂(111) have a near perfect 3:2 ratio with an experimental lattice mismatch of 0.37% or 0.38% in our LDA+U calculations. We find ≥ 4 layers of Cu are required in order for the adhered Cu to adopt a bulk-like structure. For 1-3 layers of Cu on CeO₂(111), we find buckling of the Cu stripe and exothermic adhesion for any thickness of the Cu stripe. The interface energy for the modelled Cu/CeO₂(111) nano-composite is 0.148 ± 0.001 eV/Å2 at LDA+U level. To understand the sulphur poisoning of the anodes, we are examining interactions of sulphur and H₂S at the interface model.

A..60
14:45
Authors : A. Impagnatiello, C. F. Cerqueira, P. E. Coulon, A. Morin, G. Rizza, M. C. Clochard
Affiliations : LSI, CEA DRF/IRAMIS – Ecole Polytechnique CNRS, UMR 7642, Ecole Polytechnique CEA LITEN, Grenoble

Resume : Fuel cell is a device based in electrochemical reactions that convert chemical energy in electrical energy, using a constant source of fuel, unlike in batteries. One of most used fuel cell is Proton Exchange Membrane Fuel Cells (PEMFCs) studied for many applications like automobile and mobile phone. In a PEMFC the fuel is O and H gas. Anode and cathode are immersed in an electrolyte and are separated by a membrane able to transport protons (H+). In anode take place the hydrogen oxidation reaction while at the cathode the oxygen reduction. This latter is a slow kinetic process and it required a catalyst that consists of platinum nanoparticles supported in carbon. This catalyst is subject to degradation implying a reduction of the PEMFC life time. Electrochemical experiments of cyclic voltammetry (CV) are implemented to study the degradation of PEMFC. During cyclic voltammetry the PEMFC is in operando conditions, the potential at the electrodes is so cyclically varied in order induce an aging of the device. The catalyst degradation is monitored on the basis of the cyclic voltammogram, but no clue is given about the nanoscale processes on the catalyst responsible of its degradation. In order to obtain this information, CV experiments have carried in-situ of a transmission electron microscope (TEM). The catalyst degradation during CV can be monitored also by nanoscale images. Mandatory international experimental protocols are related to ex-situ CV. Our work investigates the relationship between ex-situ and in-situ CV of the Pt catalyst. The electron beam increases the aging that can be imparted improving in-situ CV versatility. Such results make in-situ CV experiments more linkable to real scenarios and so interesting for industry.

A..61
15:00
Authors : Teoman Özdal, Hamide Kavak
Affiliations : Physics Department, Çukurova University, Adana, Turkey

Resume : Kesterite semiconductors consisting of earth abundant, inexpensive, and non-toxic constituents are promising solar cell photoactive materials. Copper zinc tin sulphide (Cu2ZnSnS4, CZTS) is important p-type material with optimal direct band gap and large absorption coefficient in the visible range [1,2]. CZTS thin films can be prepared via a simple spin?coating process based on a sol?gel precursor [1], followed by post?sulfurization. Solar cells fabrication employing solution processing techniques for all component layers by eliminating needs of vacuum is important to reduce the cost. Zinc Oxide (ZnO) n-type thin films which form p-n heterojunction also can be prepared by sol-gel and vacuum techniques. The deposition and annealing parameters of ZnO thin film layers are very important to form efficient p-n heterojunction. Sol-gel prepared ZnO layers still have poor electrical conductivity which decreases the efficiency of CZTS/ZnO/AZO photovoltaic structures. As grown ZnO thin films under high vacuum is smooth and densely packed can be deposited on top of CZTS substrate. In this work, sol-gel and vacuum-based preparation of ZnO for CZTS/ZnO and CZTS/ZnO/AZO p-n structures were compared. The comparisons were achieved employing J-V, C-V and C-f measurements to investigate the electronic properties of the p-n structures [3]. It has been found the properties of ZnO layer strongly affecting the electronic properties of heterojunctions. [1] K. Tanaka, N. Moritake, H. Uchiki, Preparation of Cu2ZnSnS4 thin films by sulfurizing sol?gel deposited precursors, Solar Energy Materials and Solar Cells, 91 (2007) 1199-1201. [2] T.K. Todorov, K.B. Reuter, D.B. Mitzi, High?efficiency solar cell with earth?abundant liquid?processed absorber, Advanced materials, 22 (2010) E156?E159. [3] A. El kissani, L. Nkhaili, A. Elmansouri, M. Elyaagoubi1, A. El Khalfi, K. Elassali, A. Outzourhit, Structural, Optical, and Electrical Properties of Kësterite/Zinc Oxide Heterostructures Spectroscopy Letters, 47(2014)387?391.

A..62
15:15
Authors : Raksha Dangol, Qingyu Yan
Affiliations : School of Material Science and Engineering, Nanyang Technological University, Singapore 639977, Singapore

Resume : The energy storage researches have been driven by nanostructured materials and, thus exfoliation of 2D materials is considered as a promising method in enhancing electrochemical performance due to the large surface area of nanosheets and their fast electron transport mechanism. Herein, bulk NiPS3 crystals, synthesized by chemical vapour transport (CVT), are subjected to systematic high-yielding liquid exfoliation to obtain few layered nanosheets of NiPS3; and their properties as anode for lithium ion battery (LIB), and electrocatalyst for oxygen evolution reaction (OER) are investigated. The exfoliated NiPS3 nanosheets showed excellent electrochemical properties with a stable reversible capacity of 796.2 mA h g-1 at the current discharge density of 0.1 A g-1. The improved lithium storage is attributed to the ease of lithium diffusion, reversible lithium interaction and low charge transfer resistance of the system. As for the OER, it has demonstrated an outstanding electrocatalytic performance with a low overpotential of 301 mV at a current density of 10 mA cm−2, a small Tafel slope of 43 mV dec−1, and a remarkable long-term durability. The enhanced electrocatalytic activity could be due to large electrochemical surface area (ECSA) and high intrinsic catalytic activity. Further, the in-situ formation of NiOOH and its interface enhances the OH− adsorption and reduces Gibbs free energy of the reaction intermediates.

A..63
16:00
Authors : Yaoqing Zhang
Affiliations : Nature Communications, Nature Research, Springer Nature E-mail: Yaoqing.Zhang@nature.com

Resume : The next generation energy conversion and storage technologies could provide technological solutions to some of the grand challenges facing the modern society. Realising their potential, however, requires breakthroughs in materials discovery, coupled with an enhanced fundamen-tal understanding of the underlying chemistry and physics. Whereas the publishing landscape for this field is undergoing major changes in the recent years, Nature journals remain commit-ted to publishing the most significant advances in energy research so as to facilitate the prompt communications of these scientific developments to the relevant research communities. The other mission of Nature journals is fostering a greater appreciation of these great works of science amongst the wider public or non-specialists. In this talk, I will endeavor to shed light on how our editors apply these principles in practice, and so determine which few of the many high quality research submissions that we receive make it through to publication. Keywords: Energy Storage • Energy Conversion • Scholarly Publishing • Nature Research • Nature Communications

A..64
16:30
Authors : S. G. Davies, G. Tritsaris, D. Hardie, S. P. Hepplestone
Affiliations : Department of Physics and Astronomy, University of Exeter, Stocker Road, EX4 4QL; Deregallera Ltd, Pontygwindy Industrial Estate, Caerphilly, CF83 3HU

Resume : With ~60% of all generated energy wasted as heat[1], energy harvesting is an important avenue of study. Thermoelectrics (TEs) offer the unique opportunity to recover this wasted energy, and improve performance, via a direct solid state conversion of heat to electricity. The key limitation of TEs is their poor power conversion efficiency, characterised by the dimensionless figure of merit, ZT. This value depends on both the electron and phonon transport characteristics, which themselves are interdependent. This interdependence has effectively limited the maximum ZT to its current value of ~3[2]. Therefore the ideal technique for raising ZT further would optimise these characteristics independently. With this in mind, we investigate interfacial patterning as a method for controlling the transport properties of phonons. This method utilises the fundamental difference in electron and phonon wavelengths to selectively scatter phonons and hence reduce thermal conductivity. Using density functional theory, we demonstrate the effectiveness of patterning on Si/Ge structures. We investigate three differently patterned interfaces, noting how subtle changes in the patterning can have dramatic effects on properties such as the effective mass and the lattice thermal conductivity. This patterning provides a technique to enhance ZT and a framework for producing more viable devices from any heterostructure-based TE materials. 1. En.Env. Sci., 2012, 5, 5147 2. Science, 2017, 357, 6358, 9997

A..65
16:45
Authors : S. Fengler 1;2, H. Kriegel 1, M. Schieda 1, Th. Dittrich 3, D.L. Olynick 4, T. Klassen 1;2
Affiliations : 1 Helmholtz Zentrum Berlin für Materialien und Energie GmbH, Institut für Silizium-Photovoltaik, D-12489 Berlin, Germany; 2 Helmut-Schmidt-Universität, Universität der Bundeswehr Hamburg, Institut für Werkstofftechnik, Holstenhofweg 85, D-22043 Hamburg, Germany; 3 Helmholtz-Zentrum Geesthacht, Zentrum für Material- und Küstenforschung, Institut für Werkstoffforschung, Max-Planck-Str. 1, D-21502 Geesthacht, Germany; 4 Lawrence Berkeley National Laboratory, One Cyclotron Road, Berkeley, CA 94720, USA

Resume : A series of TiO2 coatings with increasing thicknesses (in the range 10-100 nm) were prepared by atomic layer deposition (ALD) on c-Si(n++) substrates. Surface photovoltage (SPV) methods, in particular Kelvin probe, modulated and transient SPV, were used to investigate the formation of crystalline TiO2 (c-TiO2) within the amorphous TiO2 (a-TiO2) matrix, as well as the charge separation in the (c-TiO2)/a-TiO2/c-Si(n++) system. By SPV analysis, it was possible to detect the formation of a crystalline fraction in the TiO2 layer with greater sensitivity than with either confocal Raman microscopy or grazing incidence X-Ray diffraction. The study also shows, that in the small signal case, for the modulated SPV, holes that were photo generated in TiO2, were separated towards the c-Si(n++) substrate. In the large signal case, for the transient SPV, holes were separated towards the air/TiO2 interface. Additionally, transient SPV measurements reveal a reduction of lifetime of charge carriers generated in the c-Si(n++) substrate due to defects at the TiO2/c-Si(n++) interface. Injection of photo generated holes into trap states in a-TiO2 caused a strong increase of the time of relaxation of transient SPV signals.

A..66
17:00
Authors : Olga A. Krysiak,1,2, João Junqueira,1Tim Bobrowski,1 Wolfgang Schuhmann1
Affiliations : 1Department Analytical Chemistry, Center for Electrochemical Sciences (CES), Ruhr-Universität Bochum, Universität Strasse 150, 44780 Bochum, Germany 2College of Inter-Faculty Individual Studies in Mathematics and Natural Sciences, University of Warsaw, Banacha 2c, 02-097Warsaw, Poland

Resume : The semiconducting oxides resistant to photo-corrosion in aqueous solutions which are able to efficiently absorb the visible light are up to now the best materials for solar light-driven photoelectrochemical water splitting devices. Combining single oxide semiconductors to more complex systems or the use of catalyst/co-catalyst may enable us to overcome their present limitations and obtain materials with improved properties. The most promising way seems to be deposition of oxygen evolution catalyst (because this reaction is the rate-determining step) on the surface of well-known photoanodes exhibiting significant water oxidation capabilities. We examined the activity of the oxygen evolution reaction catalyst composed of Ni, Fe and Cr. The catalyst is deposited on the surface of a Mo:BiVO4 photoanode by spray-coating compo-sitional and thickness gradients of the co-catalyst. The photoelectrocatalytic activity of the materials was examined by means of an optical scanning droplet cell (OSDC) with respect to open circuit potential determination, steady-state photocurrent and incident photon-to-current conversion efficiency measurements. The wetted area of the sample surface is defined by the tip diameter and forms the working electrode in the electrochemical three-electrode setup which enables localized characterization of the studied sample. The obtained results are used to define the band structure namely the flat band potential and bandgap.

A..67
17:15
Authors : Gonçalo Domingos, Tiago Kalil Cortinhas Alves, Elsa Branco Lopes, António Pereira Gonçalves
Affiliations : C²TN, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, 2695-066 Bobadela LRS, Portugal

Resume : Thermoelectric modules are solid state devices that, through the Seebeck effect, convert a temperature gradient into a thermoelectric voltage. Most of actual high performance thermoelectric modules used at moderate temperatures (up to ~500K) are composed by a series of legs, containing n (Se doped) and p (Sb doped) type Bi2Te3, bonded and connected together typically with Sb based solder and copper contacts. One of the drawbacks of this type of modules is the relatively high diffusion of these elements into Bi2Te3. The diffusion can significantly change the stoichiometric composition of the legs, leading to the formation of new unwanted phases, worsening the module efficiency. To prevent this, a small diffusion barrier can be deposited between Bi2Te3 and the bonding solder. Typically, the material of choice is Ni due to: i) its effectiveness in preventing diffusion, ii) its long term stability and ease of deposition through commercially viable processes, namely electrodeposition. One major drawback is the formation of intermetallic phases between Ni and Te, which cripple thermoelectric, electric and mechanical properties. This work pretends to study the possibility of electrodeposition of other metals and alloys, namely, alloys of Ni, Co, Fe and refractory metals (W and Mo) and to characterize their performance as diffusion barriers, as well as their electrical properties. Preliminary results of this work will be presented.

A..68
17:30
Authors : Byeonghak Park 1, Daeshik Kang 2, Tae-il Kim 1
Affiliations : 1 School of Chemical Engineering, Sungkyunkwan University 2 Department of Mechanical Engineering, Ajou University

Resume : The characteristics of a mechanosensor are one of the crucial issues to detect delicate bio-signals for medical applications and fine stress on flexible integrated circuit (IC) electronics. Especially, sensitivity is major issues for the sensor, determining directly the performance of the sensor. Recently, nanocrack based mechanosensor inspired by spider’s vibration receptor has been a breakthrough with its high sensitivity, up to 2,000 in 2% strain, and simple fabrication process. The sensitivity is dramatically enhanced by nano-crack pattern, however, due to nano-cracks, fatigue by repeated stress is concentrated and accumulated on the spot of the crack vertex. Degradation is inevitably compromised even after 1,000 cycle in 2% strain. Thus, to overcome this drawback, we suggest a simple yet robust strategy for remarkable persistence and durability in nanoscale crack based sensor with a self-healable polymer. The self-healable polymer help it make a return to have original shape and performance. Due to the healable property, the sensitivity is stable until 10,000 cycles of 2% strain, and with additional healing at 50 ℃ for 10 minutes, the sensor over 100,000 cycles can be used. External IR LED heating is useful to locally accelerate the healing, not affecting in another component. The proposed strategy can provide high mechanosensitiy as well as highly enhanced durability.

A.PYSF.1
17:30
Authors : I.A. Gabaldón-Saucedo, E. Gutiérrez, A. Rodríguez-Rodríguez, M. C. García-Guitérrez, A. Nogales, E. Rebollar, A. Vilà, T. A. Ezquerra, A. Cirera.
Affiliations : I.A. Gabaldón-Saucedo, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; E. Gutiérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Rodríguez-Rodríguez, J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-18223 Prague 8, Czech Republic.; M. C. García-Guitérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Nogales, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; E. Rebollar, Instituto de Química Física Rocasolano (IQFR-CSIC), Serrano 119, 28006, Madrid, Spain.; A. Vilà, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; T. A. Ezquerra, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Cirera, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.

Resume : Poly-3,4-ethylenedioxythiophene doped with Poly(styrenesulfonate) (PEDOT:PSS) has drawn great attention because of its high electrical conductivity and transparency that are excellent features for hole injection layers in organic solar cells [1]. The charge transport properties of this system depend directly on the molecular packaging of quite long chains of PSS attached to smaller segments of PEDOT. Nowadays researchers conceive PEDOT:PSS structure like cores of PEDOT:PSS that are coated by other PSS units blocking the charge transport [2-5]. Besides the understanding about PSS and PEDOT interactions, the control of the orientation in order to make charge transport more efficient is still a challenging issue. In this work, PEDOT:PSS pristine was mixed with polar solvents to be processed into thin films by using several deposition techniques, such as Electrospray Deposition, Spin Coating and Drop Casting. Crystalline structures of these films were analyzed by Grazing Incidence Wide-Angle X-Ray Scattering (GIWAXS) using synchrotron radiation at the European Synchrotron (ESRF) (France). To study the molecular conformation of PEDOT in PSS environment, Raman Spectroscopy was used. Additionally, the PSS content in films was analyzed by X-ray photoelectron spectroscopy (XPS). Finally, electrical properties of polymer films were measured by Conductive Atomic Force Microscope (C-AFM) in order to find out the processing-structure-properties relationship of the prepared PEDOT:PSS systems. References 1. Lu, L., Zheng, T., Wu, Q., Schneider, A. M., Zhao, D., & Yu, L. (2015). Recent Advances in Bulk Heterojunction Polymer Solar Cells. Chemical Reviews, 115(23), 12666–12731. 2. Le,T-H., Kim, Y.,Yoon, H. 2017. Electrical and Electrochemical Properties of Conducting Polymers. Polymers, 9(150): 1-32. 3. Eom, S. H., Senthilarasu, S.,Uthirakumar, P., Yoon, S. C., Lim, J., Lee, C., Lim, H. S., Lee, J., Lee, S-H. 2009. Polymer solar cells based on inkjet-printed PEDOT:PSS layer. Organic Electronics, 10: 536-554. 4. Zhou, J., Anjum, D. H., Chen, L., Xu, X., Ventura, I. A., Jiang, L., Lubineau, G. 2014. The temperature-dependent microstructure of PEDOT/PSS films: insights from morphological, mechanical and electrical analyses J. Mater. Chem. C, J. Mater. Chem. C, 2: 9903- 9010. 5. Winther-Jensen, B., Forsyth, M., West, K., Andreasen, J. W., Bayley, P., Pas, S., MacFarlane, D. R. 2008. Order-disorder transitions in poly(3,4-ethylenedioxythiophene). Polymer, 49: 481-487.

A..69
17:45
Authors : Murat Gunes, Hisanori Sato, Loreynne Pinsard-Gaudart, David Berardanand and Nita Dragoe
Affiliations : Université Paris Sud, Université Paris Saclay, ICMMO, SP2M, UMR 8182 CNRS, 91405 Orsay, France

Resume : We present a fast Hall effect measurement system that can be used at high temperature. The use of a homogeneous high field permanent magnet in a Halbach configuration allows fast measurements in various DC and AC current field wıth step and continuous measurement modes. Results of measurements on platinum film at room temperature and Ge and BiCuSeO between 300K and 650K are presented.

A..0
17:45
Authors : Mohit Saraf1, Richa Rajak2, Shaikh M Mobin1,2,3
Affiliations : 1Discipline of Metallurgy Engineering and Materials Science, Indian Institute of Technology Indore, Simrol, Khandwa Road, Indore 453552, India 2Discipline of Chemistry, Indian Institute of Technology Indore, Simrol, Khandwa Road, Indore 453552, India 3Discipline of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Simrol, Khandwa Road, Indore 453552, India

Resume : In this work, we designed and synthesized a paddle-wheel Cu-metal organic framework (Cu-MOF) by a facile solvent-diffusion technique. The crystal structure of Cu-MOF was authenticated by single crystal X-ray studies. Furthermore, a composite was prepared by blending Cu-MOF with reduced graphene oxide (rGO) using a simple ultra-sonication method, which was characterized by various advanced physico-chemical characterization techniques. The positive synergism between Cu-MOF and rGO in the Cu-MOF/rGO hybrid induces high specific capacitance (685.33 F g-1 at 1.6 A g-1). Moreover, it delivers remarkable energy and power density (137.066 W h kg-1 and 4800.04 W kg-1, respectively), notable rate performance (71.01% of its initial capacitance up to 8 A g-1), and long cycle life (91.91% after 1000 cycles). The excellent specific capacitance and capacitance retention exceeds some of the values for state-of-the-art structured carbons. The present work opens up new possibilities in the field of design and construction of MOFs based composites as the cutting edge materials for next generation energy storage devices.

A..11
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Authors : Rohit Y. Sathe, T. J. Dhilip Kumar
Affiliations : Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, India.

Resume : Hydrogen is the most promising candidate for a sustainable energy source in the transport sector. Storage of hydrogen is the main obstacle for it to be used as a fuel. A DFT approach to test the hydrogen storage capacity of [2,2]paracyclophane (PCP22) and BN-substituted PCP22 is presented here. Electronic structure calculations were performed on Li and Sc functionalized on the delocalized pi-electrons of benzene rings in [2,2]paracyclophane (PCP22), as well as Sc and Ti functionalized on delocalized pi-electrons of borazine in BN-substituted PCP22. These metal functionalized systems were studied for hydrogen storage efficiency by using the M06 hybrid functional and 6-311G(d,p) basis set. Transition metals Ti and Sc coordinate with borazine and benzene through Dewar interaction. The binding energy for Sc metals functionalized on PCP22 was 2.70 eV while for Li, it was 1.19 eV. The binding energy for Ti functionalized on BN-substituted PCP22 was 1.73 eV while for Sc it was 0.23 eV. Weaker binding energy values in borazine are due to its lesser aromaticity than the benzene. Hydrogen saturated Sc functionalized PCP22 adsorbed a maximum of 10 hydrogen molecules with hydrogen wt.% of 11.8 and in Li functionalized PCP22 maximum 8 hydrogen molecules were adsorbed 13.7 wt.% with 0.05 eV desorption energy in both the cases. In BN-substituted PCP22 the maximum hydrogen wt.% was calculated to be 9.88 % with desorption energy 1.01 eV when functionalized with Ti and held a maximum of 10 hydrogen molecules and 0.31 eV desorption energy with 8.91 % when functionalized with Sc adsorbing 8 hydrogen molecules and attaining saturation. All the complexes carry higher hydrogen storage capacity than 7.5% which is a target specified by Department of Energy, US for the year 2020. Stability of these complexes was tested with vibrational frequencies which were found positive values for all the complexes. Conceptual DFT study predicted that global reactivity parameters such as electronegativity, electrophilicity, and hardness obey “maximum hardness and minimum electrophilicity principle” which confirmed the high stability of all saturated complexes. ADMP simulation study of these complexes at various temperatures revealed thermal stability at higher temperatures. It also proved that within the temperature range of 300-400 K all the hydrogen molecules desorb from these complexes. This signifies their sorption reversibility and ease of on-board generation. These results imply the potential of paracyclophanes and BN-substituted paracyclophanes as an excellent hydrogen storage material.

A..12
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Authors : P.C. Harikesh, Arjun Moorthy, Sudhanshu Shukla, Subodh Mhaisalkar, Nripan Mathews
Affiliations : Nanyang Technological University, Singapore

Resume : Most novel and high performing semiconductor materials including the halide perovskites contain toxic and regulated elements such as Pb, Cd, or As. The presence of ns2 electrons is claimed to be one of the reason for the high performance of the lead based semiconductors. In this respect Sb based semiconductors with ns2 electrons show promise due to their lower toxicity. In this work, we show a novel solution processable route to form high quality thin films of a novel Sb based semiconductor - NaSbS2 with a band gap of 1.7eV suitable for photovoltaic applications. The material forms in cubic and monoclinic phases based on the annealing conditions followed. It is shown that the optoelectronic properties and structure of the material can be modulated by facile control of the Na composition. In addition, we show for the first time, swichable photovoltaic effect (SPV) in this material without additional electron and hole tranport layers achieved by preconditioning with an external bias. This field-switchable photovoltaic effect may be induced by ionic migration inside the material creating an internal field which drives the electrons. The composition of Na in the material is shown to modulate the SPV effect by controlling the ionic migration.

A..13
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Authors : Abbas Rostami, Kianoush Sadeghian, Mohammadreza Kolahdouz, Amir Hossein Karami, Ebrahim Asl-Soleimani
Affiliations : School of Electrical and Computer Engineering, College of Engineering, University of Tehran, Tehran, Iran

Resume : Recently, semiconductor nanocrystals have attracted a great deal of attention in fabrication of optoelectronic devices due to their band-gap tunability and solution processessability. Among various nanocrystals with different compositions and crystal structures, the emerging inorganic perovskite nanocrystal, with CsPbX3 composition (where X being Cl-, Br- or I-), have some benefits over conventional semiconductor nanocrystals (e.g., Cadmium Selenide). Having High quantum yield and high absorption coefficient have converted this nanocrystal to a good candidate for optoelectronic devices. As a result, this nanomaterial can be employed as an active component in the solution-processed electronic devices, e.g., solar cell, light emitting diode and photodetector. In this study, monodisperse perovskite nanocrystals were synthesized by hot injection technique. The optical properties of the nanocrystals were determined by UV-Vis and photoluminescence spectroscopy and transmission electron microscopy. Characterizations of the as-prepared nanocrystals revealed that synthesized monodisperse particles acquired high photoluminescence. By varying the growth temperature and the ratio of ligands (oleylamine to oleic acid), different sizes of nanocrystals have been obtained. The resulting nanocrystals have been coated on a substrate, and then annealed at different temperatures and pressures. Finally, the electrical properties are being investigated.

A..14
17:45
Authors : Li pengxiang,Huang liangrui
Affiliations : Changjiang River Scientific Research Institute

Resume : Alkali-Aggregate Reaction(briefly named “AAR”), is that the alkali in cement reacts with some active aggregate, which cause uneven expansion in concrete, and result in damage finally. Quartz sandstone is a common rock, it is often selected as concrete aggregate The SiO2 content of the quartz sandstone is high, there are usually cemented by Siliceous. Microcrystalline quartz and/or quartz with crystal lattice defects (strained quartz) caused by some sort of deformation, are assumed to be one of the reasons for the alkali-reactivity for such slow/late alkali-reactive aggregate. AAR is deleterious to durability of concrete. The durability of concrete is very important to the safety of concrete project. The quartz sandstone have been determined on alkali reactivity potential by petrography method, accelerated mortar bar method, mortar bar method, concrete prisms method and inhibiting test. The results show the quartz sandstone are alkali reactivity aggregates. In order to insure safety of the concrete project,the alkali content of cement is not more than 0.60%, the total alkali content of concrete must be controlled strictly, or the addition of fly ash is at least 30%.

A..15
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Authors : Julija Grigorjevaite, Judita Cicenaite, Arturas Katelnikovas
Affiliations : Faculty of Chemistry and Geosciences, Vilnius University, Naugarduko 24, LT-03225 Vilnius, Lithuania

Resume : LaB5O9:Pr3+ powder samples were synthesized via sol-gel method. Stoichiometric amounts of La2O3 and Pr6O11 were first dissolved in diluted nitric acid under stirring and heating. Then the required amount of H3BO3 (with La/B = 1/40) was added to mixture and heated until all water evaporated. The homogeneous sol was further heated at 190 °C till white powder was obtained. Synthesized powder was transferred to the porcelain crucible and annealed at 550 °C for 10 h and 750 °C for 24 h in air. Finally, the samples were boiled in distilled water until excess of boric acid dissolved. Subsequently, hot mixture was filtered and the obtained powder dried in air. The structural, morphological and optical characteristics of the compounds were investigated by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) analysis and UV-Vis spectroscopy. The phase purity was confirmed by powder XRD measurements. The reflection, excitation and emission spectra of the single phase compounds were measured and analyzed. The temperature dependent emission spectra and decay curves in 77 – 500 K temperature interval were also recorded and will be discussed. Moreover, fluorescence lifetime and the external quantum efficiency of the synthesized phosphors was calculated. The results had shown that the highest QE was obtained for 75% doped sample and the strongest emission was observed in UV region the maximum at 308 nm.

A..16
17:45
Authors : Zeliang Liu a,b, Huijian Li b
Affiliations : a Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Uppsala, S75121, Sweden b College of Civil Engineering and Mechanics, Yanshan University, Qinhuangdao, Hebei, 066004, China

Resume : Some elemental metals undergo phase transition from the conventional metal phase to host-guest structure under applied pressure [1]. The host-guest structure lacks periodicity despite having long-range order. It is similar to quasicrystal that the conventional lattice periodicity is broken in quasiperiodic materials. The mechanical stability criteria for the host-guest structure and conventional crystal structure are different. There are two kinds of strain fields for quasicrystal materials, the phonon strain and the phason strain. Therefore, in addition to the phonon strain, the phason strain also affects the mechanical stability [2]. The elastic constants for quasicrystal is [■([C]&[R]@[R^']&[K])], where [C] and [K] are the elastic constants related to phonon strain and phason strain, respectively; [R] is the elastic constants related to the phonon-phason coupling strain; [R^'] is the transpose of [R]. The elastic constants matrix must be definite positive when the strain energy is positive. Then, the general mechanical stability conditions for all quasicrystals are classified, and the necessary and sufficient mechanical stability conditions for each quasicrystals class are derived. The results suggest that the phonon field, the phason field and the coupling field affect the mechanical stability of the quasicrystals. The mechanical stability conditions of the phonon field elastic constants are the same in quasicrystal and crystal when they have same point group. The quasiperiodic host-guest structure of elemental bismuth at high pressure exhibits additional quasi-acoustic sliding modes that similar to the one-dimensional quasicrystal [3]. The mechanical stability criteria for one-dimensional quasicrystal can be used to determine the mechanical stability of quasiperiodic host-guest of elemental bismuth. [1] Prutthipong Tsuppayakorn-aek, et al.. Structural prediction of host-guest structure in lithium at high pressure. Scientific reports, 8(1):5278, 2018. [2] Philip Brown, et al.. Strong coupling superconductivity in a quasiperiodic host-guest structure. Science advances, 4(4):eaao4793, 2018. [3] Zeliang Liu, et al.. Necessary and sufficient elastic stability conditions in 21 quasicrystal Laue classes. European Journal of Mechanics-A/Solids, 65:30–39, 2017.

A..17
17:45
Authors : Fu Qiubo, Sun xiujuan
Affiliations : Institute of Chemical Materials, CAEP

Resume : Reactive energetic materials are typically mixed nano-partials or multilayer foils consist of two materials that react exothermically. If sufficient heat is generated via local stimulation, surrounding materials can be heated and caused to mix, generating a runaway reaction that can propagate throughout the entire foil. Examples of exothermic material system that exhibit self?propagating high temperature synthesis reactions include Al/Ni, Al/CuO, Al/PTFE. Al/PTFE multilayer films have higher energy densities than conventional organic explosives and other MIC composed of different fuels and oxidizers. Pulsed laser provides a unique opportunity to characterize the ignition processes with a precise and reproducible energy source. There are researches about the laser induced reaction of several different combination of MIC, including Co/Al?Ni/Ti?Al/Pt, trying to reveal the influence of material combination on the effect of laser ignition, and another papers reported experiments of nanosecond and femtosecond pulsed laser ignition of reactive Al/Pt multilayer foils. This paper included experiments on Al/PTFE multilayer foils with pulsed laser, with the purpose of discovering how the multilayer structure influences the reaction. All multilayer films were deposited via magnetron sputtering. Three general characteristics define the physical features of a film: the total thickness of the film, the bilayer thickness of the constituent layer, and the proportion between the constituent layers within one bilayer. We prepared three kinds of films with varied characteristics. Laser ignition experiments determined the ignition thresholds of Al/PTFE multilayer foils under single pulsed laser loading, results showed that the foil can be set onto reaction by laser pulse, and the spread of reaction will benefit from finer structure of the foil. Laser induced breakdown plasma emission spectra and mass spectrum experiments were carried out to gather more data during the ignition and reaction progress.

A..28
17:45
Authors : Yasir Saeed
Affiliations : Department of physics, Abbottabad University of Science Technology, Abbottabad, KPK, Pakistan.

Resume : Layered materials are the best candidates for thermoelectric application due to their in-plane low thermal conductivity that is a key property to achieve high efficiency. Owing to that, here we present our investigations on electronic as well as thermal transport of bulk and monolayer MX 3 compounds (M = Ti, Zr, and Hf and X = S and Se) based on density functional and semi-classical Boltzmann theories. The values of the bandgap is rather similar for bulk and the monolayer, with only a slight change in the shape of bands near the Fermi level that results in a different effective mass. We found that the monolayer MX 3 compounds are better thermoelectric materials than bulk. Also, the p-type monolayer of TiS 3 has a high power factor at 600 K that is the double of its room temperature value. The monolayer of the Zr/HfSe 3 compounds show a promising behavior as a n-type thermoelectric materials at 600 K. In-plane tensile strain could be used to further tune the TE properties of the monolayers in order to obtain high performance TE materials.

A..29
17:45
Authors : K. Pietak [1], G. Matyszczak [1], P. Ostapowicz [1], D. Jastrzebski [1], C. Jastrzebski [2], S. Podsiadlo [1]
Affiliations : [1] Faculty of Chemistry Warsaw University of Technology ul. Noakowskiego 3 00-664 Warsaw [2] Faculty of Physics Warsaw University of Technology ul. Koszykowa 75 00-662 Warsaw

Resume : Nowadays, environmental protection is one of the most important civilization and scientific issues. Fear of running out of non-renewable energy sources forces the need development and use of renewable energy sources. One of them is solar energy, which currently is based on c-Si, CdTe and CIGS. However, these materials contain toxic elements and the resources of some of them (eg. Te) are insignificant. A good substitute may be Cu2ZnSnS4, however, batteries based on this compound are characterized by low efficiency - this may be due to defects in the crystal structure of this compound. Computational tests have shown that replacing silver in place of copper can significantly reduce the number of defects or completely remove them. Ag2ZnSnS4 was obtained by two methods: chemical transport method and reaction in solution (using oleylamine as a solvent). The obtained products were characterized by X-ray powder diffraction, Scanning Electron Microskope (SEM), Energy – Dispersive X-ray Spectroscopy and Raman Spectroscopy.

A..30
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Authors : R. Lamouri 1 2, E. Salmani 1, O. Mounkachi 2, H. Ez-Zahraouy 1, M. Hamedoun 2, A. Benyoussef 2 3
Affiliations : 1 LaMCScI, B.P. 1014, Faculty of science-Mohammed V University, Rabat, Morocco ; 2 Materials and Nanomaterials Center, MAScIR Foundation, Rabat Design Center Rue Mohamed Al Jazouli ? Madinat Al Irfane , Rabat 10 100 ? Morocco ; 3 Hassan II Academy of Science and Technology, Rabat, Morocco ;

Resume : This work presents a computational study based on density functional theory and Monte Carlo simulation to carry out the magnetic properties of CoFe2O4. Periodic boundary conditions were used to simulate the bulk spinel ferrite. The obtained magnetization and susceptibility as function of temperature show that the studied system exhibits a second order transition to paramagnetic phase around 821 k. finite size effect, magnetic anisotropy and the high competition among the ferromagnetic and antiferromagnetic exchange couplings between adjacent magnetic moments have been taken into consideration to study the magnetic hysteresis of CoFe2O4. Our results demonstrate in a microscopic scale the performance of CoFe2O4 as an environmentally friendly permanent magnet that is required in the new energy technology generation.

A..31
17:45
Authors : O.Arfi(1), G.Collins(2), G.Oreski(3) K.Agroui(1)
Affiliations : (1) CRTSE, Algiers (Algeria) (2) NJIT, New Jersy (USA) (3) PCCL Leoben (Austria)

Resume : One way to reduce photovoltaic (PV) module losses by thermalization, is the generation of multiple electron-hole pairs from selective incident photon in the polymer encapsulant (carrier multiplication). Actually, some of the losses can be circumvented by including a luminescent down-shifting (LDS) layer. The LDS layer absorbs UV photons before they are absorbed by the encapsulant, and emits longer wavelength photons that transmit through the encapsulant to the cell. For PV conversion, the luminescent materials are classified in terms of the class of chemical compounds they belong to and in terms of the way they are used in luminescent converters, such as luminescence quantum yield, photo stability and solubility. However, there are several LDS materials showing improvements of solar cells such as organic dyes, quantum dots (QDs), and rare earth coordination complexes?mainly Eu(III) complexes. Actually, organic dyes exhibit very high photo-luminescence quantum yield (PLQY) in solution, which is a fundamental property for successful LDS. They exhibit good solubility in a wide range of organic solvents and polymeric host material. In this paper, we propose to study the feasibility to implement the downshifting functionality for PVB material, as host polymer encapsulant, with Lumogen F: Violet 570, as luminescent organic dye, for PV module encapsulation process. The experimental conditions such as polymer thickness, organic dye concentration will need to be optimized. The results indicate that Lumogen dye can be dissolved successfully within PVB polymer encapsulant, giving good optical and thermal properties for lower dye concentrations according to polymer encapsulant requirements.

A..32
17:45
Authors : Raouf Mbarki, Sadeq Damrah
Affiliations : The Australian College of Kuwait Mechanical Engineering Department, Mathematics Department

Resume : Polymeric material attracted scientists for their electromechanical properties, naming piezoelectricity and ferroelectricity. Pyroelectricity is another useful property that we find in a limited types of polymers. Such property can be very useful for energy harvesting and sensors designs, among others. In this paper, we propose a design based on soft electret that shows an apparent pyroelectric behavior. The design was described by a non-linear model that is capable of generally describing thermo-electro-elastic behavior of polymer. The electret showed an apparent pyroelectric behavior and the model was able to catch the non-linear effect on the pyroelectric coefficient.

A..33
17:45
Authors : Ewelina Ksepko, Grzegorz ?abojko, Anna Kwieci?ska
Affiliations : Institute for Chemical Processing of Coal, Zabrze, Poland

Resume : In the paper results of examination of materials called oxygen carriers for application in energy generation process i.e. Chemical Looping Combustion (CLC) are presented. The CLC has this advantage over other known fuels combustion technology that it enables production of concentrated CO2 stream without any energy penalty for its separation. Also, other greenhouse gasses components such as NOx are reduced in this technology. The basic idea is to avoid the direct contact between fuel and combustion air. It can be realized by using an oxygen carrier (OC), which is usually made from d-block metal oxides. The main aim of the work was to analyze not known up till now new sources of oxygen carrier for energy generation applications (patent application applied). Therefore, different sludge samples from coke oven wastewater treatment process were synthesized. The powders composed mainly of ferric/ferrous based solids were calcined in high temperatures with air contact. The resulted fine powders were mostly composed of iron oxide. Those materials were subjected to multicycle reduction-oxidation reactivity tests carried out in thermogravimetric analyzer (TGA). The effect of material preparation conditions and the effect of process temperature on the reaction rates were examined. Also, crucial parameters such as oxygen transport capacity and chemical stability over cycling test were tested. Those parameters together with beneficial amount of active metal oxide (Fe oxides, Si oxide etc. supported by ICP-OES), and good thermal stability (high temperature oven with IR camera) proved their oxygen carrier potential. The overall study showed that these waste materials are excellent examples of raw materials enabling decrease of OC?s production costs. A beneficial aspect of the presented solution is the practical management of post-wastewater treatment sediments by converting them in a way that does not require many unit operations in an OC material. Moreover, the results confirmed the solution developed to be an example of rational resource management. Acknowledgement The investigations in this paper were carried out within INNOWATREAT project that has received funding from the Research Fund for Coal and Steel under grant agreement No 710078 and from The Ministry of Science and Higher Education from financial resources on science in 2016-2019.

A..70
17:45
Authors : Sandeep et al.
Affiliations : Indian Institute of Technology Delhi-India

Resume : An outstanding challenge in the realm of photocatalysis is the development of functional nanomaterials in the visible region of the electromagnetic spectrum. We have investigated the tunability of electronic and optical properties of semiconductor nanostructures by control of their shape, size and also the mechanism of growth of anisotropic nanostructures1 which have applications in water splitting, photocatalysis and photovoltaics. Coupling of wide band gap semiconductor such as ZnO, NaNbO3, SnO2 with narrow band gap semiconductors like Ag2S, In2S3, CuInS2 etc. (which acts as sensitizer) forms efficient heterostructures (core/shell) for the separation of photogenerated charge carriers and makes it a good candidate for visible-light photocatalysis. The enhancement in photocatalytic activity also elaborate is due to the efficient photoinduced interfacial charge transfer (IFCT) mechanism.2,3 The spatial electron-hole separation between the core and shell, is greatly enhanced by the type-II band alignment between core/shell heterostructures, results in the extremely long exciton lifetime.4 In the aim of society to move towards a clean environment5 and availability of sufficient energy, hydrogen is the key to both these challenges. Tremendous interest exists on hydrogen generation from electrochemical or photoelectrochemical water splitting. Hydrogen having highest energy density per unit mass is eco-friendly as it produces only water after combustion as a direct fuel or after transformation to electricity in fuel cells. Among earth abundant non-noble metals, molybdenum-based materials are important for hydrogen evolution reaction because of low cost, good conductivity and catalytic efficiency. The interfacial charge transfer at various heterojunctions such as core/shell, composite and doped nanomaterials is important for energy conversions. Current research of our group is focused on 2D materials, metal oxides, metal chalcogenides and alloy nanostructures for photoelectrochemical water splitting, photocatalytic organic pollutant (dye) degradation, photocatalytic fuel generation and water purification. References 1. Kumar, S.; Parthasarathy, R.; Singh, A. P.; Wickman, B.; Thirumal, M.; Ganguli A. K. Dominant {100} Facet Selectivity for Enhanced Photocatalytic Activity of NaNbO3 in NaNbO3/CdS core/shell heterostructures, Catal. Sci. Tech., 2017, 7, 481-495. 2. Kumar, S.; Ojha, K.; Ganguli, A. K. Interfacial Charge Transfer in Photoelectrochemical Processes, Advanced Materials Interfaces, 2017, DOI: 10.1002/admi.201600981. 3. Kumar, S.; Singh, A. P.; Bera, C.; Thirumal, M.; Mehta, B. R.; Ganguli, A. K. Visible Light Driven Photoelectrochemical and Photocatalytic Performance of NaNbO3/Ag2S Core/Shell Heterostructure, ChemSusChem, 2016, 9, 1850?1858. 4. Kumar, S.; Singh, A. P; Yadav, N.; Thirumal, M.; Mehta, B. R. Ganguli, A. K. Fabrication of TiO2/CdS/Ag2S Nano-Heterostructured Photoanode for Enhancing Photoelectrochemical and Photocatalytic Activity under Visible Light, Chemistry Select, 2016, 1, 4891?4900. 5. Sunita Khanchandani, Sandeep Kumar, and Ashok K. Ganguli: Comparative Study of TiO2/CuS Core/Shell and Composite Nanostructures for Efficient Visible Light Photocatalysis ACS Sustainable Chem. Eng.2016, 4, 1487?1499.

A..72
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Authors : Paria .S.M. Gharavi (1,2), L. Xie (2), C.K.Y. Park (1), Y.H. Ng (3), J.Q. He (2), J. N. Hart (1), N. Valanoor (1)
Affiliations : 1. School of Materials Science and Engineering, University of New South Wales (UNSW) Sydney, NSW 2052, Australia. 2. Pico Electron Microscopy Center, Department of Physics, Southern University of Science and Technology (SUSTech), Shenzhen 518055, China. 3. School of Chemical Engineering, University of New South Wales (UNSW) Sydney, NSW 2052, Australia.

Resume : In recent years, energy consumption in the world has constantly increased. There is a need to shift to energy sources that are both clean and renewable. Photoelectrochemical (PEC) water splitting is one such clean energy technology, which uses sunlight to produce hydrogen, thus allowing solar energy to be stored and transported. However many commonly studied PEC materials are oxides, which often have wide bandgaps, meaning that they can only absorb UV light and hence have very poor solar-to-hydrogen conversion efficiencies. Recently, we have shown that ZnS thin films can demonstrate tremendous potential as visible-light PEC materials due to the presence of defect sites. Furthermore, theoretical studies by Hart and Allan showed that the band gap of ZnS could be tuned significantly by addition of GaP [1], which was subsequently experimentally realized by Park et al. in nanowires [2]. In this work, we have used an interface engineering approach where we create multilayers of ZnS (Z)/GaP (G) stacked in an alternating fashion. We find an enhanced PEC activity under visible light in such synthetic thin film heterostructures. The focus of the work presented here is a systematic study of the atomic-scale structure and local chemistry by Transmission Electron Microscopy (TEM) to understand the origins of this high visible-light activity. A series of ZG/x (where x is the number of the interfaces) heterostructures with varying number of interfaces were grown on (100) silicon by Pulsed Laser Deposition (PLD). The TEM specimens were prepared by mechanical polishing followed by PIPS (i.e. cutting, grinding, dimpling, polishing and Ar-ion milling with a liquid nitrogen cooling stage). Scanning-TEM/TEM investigations were carried out in a Tecnai F30 and double aberration corrected Titan Cubed Themis G2 300 TEM operated at 300kV. The thicknesses of the observed regions were estimated to be less than 30nm by measuring the intensity ratio between the plasmon loss and the zero-loss peaks in Electron Energy Loss Spectroscopy (EELS). Our TEM studies directly confirm the existence of a ~5nm diffusion area at each interface although structurally the interfaces appear sharp. The inter-mixing at each interface leads to a locally confined solid solution of ZnS and GaP, which has an electronic structure that is conducive to stronger visible-light activity than either ZnS or GaP on their own, as previously predicted for ZG mixtures [1]. The film with the highest number of ZG interfaces achieves the highest photocurrent for visible-light PEC water splitting, confirming that this activity arises from the interfaces. Thus, we identify the origins of the observed enhanced visible-light photoactivity as (i) the interdiffused area at the Z/G interfaces where the local chemical composition is effectively a solid solution thereby possessing a reduced bandgap, and (ii) structural defects which possibly affect local stoichiometry [3]. References: [1] J. Hart and N. Allan, Advanced Materials 25 (2013), p. 2989-2993. [2] K. Park, J.A. Lee, H.S. Im, C.S. Jung, H.S. Kim, J. Park, C.L. Lee, ACS Nano Letters 14 (2014), p. 5912-5919. [3] The author thanks Professor J.Q. He and Dr. L. Xie in ?Pico Electron Microscopy Center? of Southern University of Science and Technology (SUSTech) of China for access and technical support.

A..73
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Authors : Hoi Ying Chung*, Cui Ying Toe*, Roong Jien Wong*, Rose Amal*, Yun Hau Ng*
Affiliations : *Particles and Catalysis Research Group, School of Chemical Engineering, University of New South Wales, Australia, UNSW Sydney 2052, Australia

Resume : Bismuth tungstate (Bi2WO6) is a visible-light active photocatalyst that could achieve high efficient photo-oxidation of water. To date, Bi2WO6 photoanode were mainly concentrated due to its substantial physical properties such as ferroelectricity, piezoelectricity and pyroelectricity [1]. Previous studies researchers had addressed metal atom dopant, addition of co-catalyst and heterojunction with Bi2WO6 to promote a superior water oxidation activity. There is research demonstrated the excess amount of tungsten (W) could bring to a higher level of photocatalytic performance for Bi2WO6 without external factors to facilitate the reaction. However, there is a lack of knowledge in the relation of the role of W on photocatalyst for such activities enhancement. Herein, the correlation between the excess W in the Bi2WO6 electrode and the intrinsic properties (i.e. charge mobility, charge carrier density and charge transfer resistance) is demonstrated, to underlying the dominant factors which governing the photoelectrochemical activity. The direct growth of plate-liked Bi2WO6 on Fluorine-doped Tin Oxide (FTO) was synthesised by the simple hydrothermal method with various W/Bi ratios (0.5, 1 and 1.5) in the precursors. UV-Vis diffuse reflectance spectrum (UV-DRS) indicated the absorption value is at 430 nm for all Bi2WO6 samples. The SEM images illustrated the size of a single Bi2WO6 plate decreased while the thickness increased when a higher W/Bi ratio of Bi2WO6 is employed. Increase in the thickness resulting in a higher exposed area of the electron-dominant facet. More electrons could be exposed on the surface for photo-oxidation process. Interestingly, a ?self-doped? of W is formed in the 1.5 W/Bi thin film can be shown in SEM-EDS. In comparison, a significant enhancement of the photocurrent density is recorded in 1.5 W/Bi thin film (0.45 mA/cm-2 at 0.5 V vs Ag/AgCl potential under 3 sun illumination) than those of 0.5 W/Bi (0.19 mA/cm-2) and 1 W/Bi (0.23 mA/cm-2) samples. The conducting Atomic Force Microscopy (cAFM) also revealed a higher conductivity in the 1.5 W/Bi film that reflecting charge mobility, charge transfer resistance and donor density were the three main factors influence the performance. From the Time-resolved Microwave Conductance (TRMC) deduced no significant difference among the three samples. Nevertheless, the smaller arc observed in 1.5 W/Bi thin film revealed the lower charge transfer resistance of this sample in the Nyquist plot, which is indicated by a shorter travel distance needed for the photoexcited charges migrate from inner to the bulk surface. Furthermore, the charge carrier density increased when more W introduced (through the Mott-Schottky profile and X-ray photoelectron spectroscopy (XPS) examination), since W atom has more valence electrons, thus more electrons were being donated to the host lattice [2]. In the Raman spectroscopy, broadening of the peak illustrated a smaller of particle size and a shorter W-O bond length that leads to the overlapping of Bi 6p and O 2p orbitals was observed in 1.5 W/Bi sample. This overlapping enhanced the migration of photoexcited holes to the surface of Bi2WO6 to improve the photocatalytic reaction [3]. This research shows the advantage of an excess W concentration in Bi2WO6 could enhance the photoactivity by 2 fold because a higher conductivity can be induced and the improvement in the charge transport and increase in the charge carrier densities. References: [1] Zhang, L. and Y. Zhu, A review of controllable synthesis and enhancement of performances of bismuth tungstate visible-light-driven photocatalysts. Catalysis Science & Technology, 2012. 2(4): p. 694-706. [2] Zhao, Z., et al., Density functional theory study of doping effects in monoclinic clinobisvanite BiVO4. Physics Letters A, 2010. 374(48): p. 4919-4927. [3] Yu, J., & Kudo, A. (2006), Effects of structural variation on the photocatalytic performance of hydrothermally synthesized BiVO4. Advanced Functional Materials, 16(16), 2163-2169.

A..74
17:45
Authors : Jaesun Song, Min Ji Seo, Tae Hyung Lee, Yong-Ryun Jo, Jongmin Lee, Taemin Ludvic Kim, So-Young Kim, Seung-Mo Kim, Sang Yun Jeong, Hyunji An, Seungkyu Kim, Byoung Hun Lee, Donghwa Lee, Ho Won Jang, Bong-Joong Kim, and Sanghan Lee*
Affiliations : Jaesun Song; Min Ji Seo; Yong-Ryun Jo; Jongmin Lee; So-Young Kim; Seung-Mo Kim; Sang Yun Jeong; Hyunji An; Seungkyu Kim; Byoung Hun Lee; Bong-Joong Kim; Sanghan Lee School of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), Gwangju 61005, Republic of Korea. Tae Hyung Lee; Taemin Ludvic Kim; Ho Won Jang Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 08826, Republic of Korea. Donghwa Lee Department of Materials Science Engineering, and Division of Advanced Materials Science, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.

Resume : In PEC water splitting, BiVO4 is considered the most promising photoanode material among metal oxide semiconductors due to its relatively narrow bandgap and suitable band structure for water oxidation. Nevertheless, until now, the solar-to-hydrogen conversion efficiency of BiVO4 has shown significant limitations because of its poor charge transport. Although various strategies, including the heterojunction and electron donor doping, have been implemented, the new approaches are required for further enhancement. In this regard, we report the fundamental approach for BiVO4 photoanodes by fabricating epitaxial oxide thin films with different crystallographic orientations. The crystalline anisotropy generally reveals distinct physical phenomena along different orientations. In the same vein, in terms of the anisotropic properties of BiVO4, the electrical conductivity of BiVO4 is greater along ab-plane than along the c-axis. Consequently, as the crystallographic orientation of the BiVO4 thin film changes from (001) to (010), the charge transport properties in BiVO4 thin film are significantly enhanced. Thus, The photocurrent density of BiVO4 (010) thin film is much higher than that of BiVO4 (001) thin film because of significant enhancement in charge transport properties. These results strongly suggest that the growth of BiVO4 thin films with specific crystallographic orientations has great potential to considerably improve the charge transport efficiency of photoanodes.

A..75
17:45
Authors : My supervisor dr Mohammadreza Kolahdouz submitted my abstract but i will present it
Affiliations : a School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran b Department of Printing Science and Technology, Institute for Color Science and Technology, PO Box 16765654, Tehran, Iran

Resume : My supervisor dr Mohammadreza Kolahdouz submitted my abstract but i will present it

A..76
17:45
Authors : Hye Jin Lee1, 2, Won Jun Choi2 and Jeong Min Baik1
Affiliations : 1School of Mechanical and Advanced Materials Engineering, KIST-UNIST-Ulsan Center for Convergent Materials, Ulsan National Institute of Science and Technology (UNIST), Ulsan 680-798, Republic of Korea 2Center for Opto-Electronic Materials and Devices, Korea Institute of Science and Technology (KIST), Seoul, 136-791, Republic of Korea

Resume : Solar thermal technologies, which convert solar energy into heat, have received increasing interest during the past few decades and are considered to be a promising candidate because of their high energy storage density and high energy conversion efficiency in many emerging applications such as solar collectors for heating and cooling systems, solar cookers, solar-heated clothes and steam generators. In this study, we fabricate the metal/dielectric based solar absorber on various substrate such as glass, fabric, thermoelectric etc. The sample, consisting of a layered titanium (Ti) and magnesium fluoride (MgF2) film multi-layers structure, were fabricated using electron beam evaporator at room temperature. The absorbers showed a high absorption of approximately 85% over a wavelength range of 0.2?4.0 ?m, and the selective absorption can be tuned by the thickness of each layer. Under 1 sun illumination, the light absorber on various stretchable substrates increased the substrate temperature to approximately 60 °C. The thermoelectric generator (TEG) with the absorber on the top surface also showed an enhanced output power of 60%, compared with that without the absorber. A solar water heating system was fabricated using a solar absorber with this absorption characteristic. Under 40 sun condensation, the surface temperature of the absorber on aluminum (Al) substrate of 1.5 cm x 1.5 cm area increased up to 92oC and the water temperature increased by 5oC. Although absorber is small area, water temperature increase. Moreover, the heat transfer and antireflection technology of absorber is also investigated for optimized solar absorption. This work should play an important role distillation water purification technology using a multi-layer thin-film photo-thermal conversion material for decentralized water supply. * To whom all correspondence should be addressed: jbaik@unist.ac.kr KEYWORDS: solar absorber; metal/dielectric; solar thermal; energy conversion; solar heating system;

A..77
17:45
Authors : Industrialists, Professors, Students
Affiliations : conferenceseries llc LTD

Resume : Expand and Explore the Novel Enhancement in Liquid Chromatography - Mass Spectrometry

A..78
17:45
Authors : Chencheng Xu, Arne Dittrich, Rolf Reineke-Koch
Affiliations : Institut für Solarenergieforschung GmbH Am Ohrberg 1 D-31860 Emmerthal

Resume : For a high efficiency plate solar thermal collector, the stagnation temperature is reached with null flux of fluid due to reduced demand on hot water like vacation days or temporal switch-off of the system like sudden electrical breakdown. Under high solar radiance, e.g. 1000 W/cm2 in summer days at 30°C environment temperature, the stagnation temperature can reach higher than 200°C, leading to evaporation and degradation of fluid in the thermal collector with increased maintenance cost and risk for environment [1]. Among other solutions, an innovative thermochromic solar thermal collector based on vanadium oxide (VOx) reduces the stagnation temperature to lower than 150 °C and diminishes the evaporation as well as degradation [1][2]. Utilizing metal-insulator-transition in vanadium dioxide (VO2) at around 70°C, the infrared emissivity of the collector exhibits an increase at the same temperature. Therefore, the absorbed excessive heat dissipates more efficiently through radiation under higher temperature and prevents a drastic temperature increase. Compared to the conventional plate solar thermal collectors, the solar absorption in thermochromic solar thermal collector still requires further improvement to boost the efficiency [1]. Since the prototypes of thermochromic solar thermal collector employ rather simple stack structure, further improvement in the efficiency is feasible through optimization of stack such as stoichiometry gradient in the absorbing material. As widely applied method for the industrial thin film deposition, the reactive sputtering process of the materials is on the spotlight of material engineering. In this work, reactive sputtering of absorbing material and the VOX is studied with plasma emission monitoring (PEM) system and in-situ spectroscopic ellipsometry (in-situ SE). With feedback from PEM signal over the elements, the gas flux dictates the stoichiometry gradient in the absorbing material and stoichiometry in VOx. During the growth of all layers,in-situ SE measurements are carried out to verify the optical property of designed structure. [1] Sebastian Föste, Alexandra Pazidis, Rolf Reineke-Koch, Bernd Hafner, David Mercs, Christine Delord, Energy Procedia 91 ( 2016 ) 42 ? 48 [2] David Mercs, Aurélien Didelot, Fabien Capon, Jean-François Pierson, BerndHafner, Alexandra Pazidis, Sebastian Föste, Rolf Reineke-Koch, Energy Procedia 91 ( 2016 ) 84 ? 93

A..79
17:45
Authors : 1. Saqib Siddiqui, 2. Syed kamran Sami, 3. Nae-Eung Lee
Affiliations : 1. Department of Textile Engineering Balochistan University of Information Technology Engineering, and Management Sciences (BUITEMS) Quetta 87300, Pakistan 2. Department of Chemical Engineering Balochistan University of Information Technology Engineering, and Management Sciences (BUITEMS) Quetta 87300, Pakistan 3. School of Advanced Materials Science & Engineering Sungkyunkwan University, Suwon, 16419, Republic of Korea

Resume : Stretchable piezoelectric nanogenerators (SPENGs) for biomechanical energy harvesting face various restrictions owing to their lower mechanical robustness under stretching motion and multi-directional straining. Selection of appropriate type and form of piezoelectric materials as well as the choice of superior structural design for omnidirectional stretchability plays a vital role in this. Herein, we report a high performance and multi-directionally stretchable SPENG comprises of a carbon-based electrode on a 3D micro-patterned stretchable substrate and electrospun piezoelectric nanofibers. The stacked mat of electrospun nanofibers is alternatively contained nanocomposite nanofibers of polyurethane loaded with barium titanate nanoparticles and poly(vinylidene fluoride-trifluoroethylene) nanofibers. The nanofiber SPENG (nf-SPENG) reveals an extraordinary stretchability of 40% and high stability up to 9000 stretching cycles at 30% strain, which are ascribed to the stress-releasing nature of the 3D micro-pattern on the substrate and the free-standing stacked nanofibers. The nf-SPENG produced a peak open circuit voltage (Voc) and short-circuit current (Isc) of 9.3 V and 189 nA, respectively, and a peak power density of 1.76 µW/cm2 at the 40% stretching mode. The nf-SPENG also has the ability to respond in various multi-modal straining modes such as twisting, pressing, crinkling and stretching. The nf-SPENG was validated to harvest the energy from human kinematics while walking when placed over the kneecap of a subject, generating a maximum Voc of 10.1 V. The energy harvested by biomechanical motions was effectively and repeatedly stored in a capacitor The multi-directional stretchability, efficiency, simplistic fabrication process, mechanical endurance, environmentally friendly lead-free components and response to multi-modal straining make this device suitable for self-powered wearable sensing systems.

A..80
17:45
Authors : Yuvasree Purusothaman, Nagamalleswara Rao Alluri, Arunkumar Chandrasekhar, Venkateswaran Vivekananthan, Sang-Jae Kim*
Affiliations : Nanomaterials and System Lab, Department of Mechatronics Engineering, Jeju National University, Republic of Korea - 690756 Email: yuvasreep@jejunu.ac.kr, kimsangj@jejunu.ac.kr*

Resume : Ferroelectric-semiconductor, antimony sulfoiodide (SbSI) is demonstrated to function as an effective energy harvester enabling the advancement of futuristic self-powered optoelectronic devices. A series of composite interfaces are examined to design SbSI based piezoelectric nanogenerator with polymeric matrixes such as polydimethylsiloxane (PDMS), polyvinylidene fluoride (PVDF) and polymethyl methacrylate (PMMA). A flexible and robust piezoelectric nanogenerator based on SbSI/PMMA composite (S-PNG) exhibits the promising mechanical harnessing state. It delivers an average peak to peak electrical response of ~ 5 V and 150 nA for an applied force (F) of 2 N. The SbSI conductivity is demonstrated through current-voltage (I-V) characteristics of SbSI/PMMA based photodetector (S-PD). The S-PD illustartes an improved photocurrent response (IPh ~ 20 nA) as a function of optical intensity irradiation at 630 nm wavelength (PL ~ 17.46 mW/cm2). Furthermore, the photoactive sensitivity of S-PNG in the presence of light under continuous mechanical strain displays a voltage drop of 31 % (V ~ 0.19 V) and 26 % (V ~ 0.13 V). It affirms the concurrent scavenging mechanism of SbSI involving mechanical and optical energies with coupling effects of piezoelectric potentials and photogenerated charge carriers (piezo-phototronic effect). The results provide new insights of SbSI multifunctional properties such as semiconducting-photoactive-ferroelectric performances and its involvement in scavenging the mechanical energy towards the development of next generation, smart, self-powered sensors, piezo-photonics, optical devices, and switches. Keywords: Antimony sulfoiodide (SbSI), ferroelectric, semiconductor, polymer interface (PDMS, PVDF, PMMA), energy harvester, piezo-phototronic Acknowledgment This work was supported by 2018 Jeju Sea Grant College Program funded by the Ministry of Oceans and Fisheries (MOF) and by the National Research Foundation of Korea (NRF) funded by the Korea Government GRANT (2016R1A2B2013831).

A..81
17:45
Authors : F. Mirahmadi, N. Sharifpour, M. Madani, M. Kolahdouz, A. Soleimani-Gorgani
Affiliations : School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran Department of Printing Science and Technology, Institute for Color Science and Technology, PO Box 16765654, Tehran, Iran

Resume : Recently, demands for self-powering portable devices have been increased due to the rapid increment of portable power-consuming products such as cellular phones and video cameras, toys and tablets. The fact, that the battery life is limited and exchanging batteries is Anti-environmental, is a major technological challenge. It is of great importance to introduce a reliable, clean and renewable energy source for powering such devices. Ambient mechanical energy is one of the largest wasted energy in our daily life so converting this source into electricity is one of the crucial subjects for experiments. Lately, piezoelectric and triboelectric energy harvesting devices have been developed to convert mechanical energy into electrical energy. Especially, it is well known that triboelectric nanogenerators (TENGs) have a simple structure and a high output voltage, but the fabrication of a piezoelectric generator is a complex and expensive procedure.In this work, we have applied two layers for each side of our proposed TENG; the bottom layer consists of silver ink printed electrode on a PET substrate which was coated with a micro/nanostructured PTFE/PDMS film, and the other side was formed using a commercial aluminum foil. Due to TENGs? very low output power, several of these TENGs will be biased in serial order together to have an array of them. Our results from one TENG is 5-8v open circuit voltage and 1-5 ?A short-circuit current.

A..82
17:45
Authors : Jafar Poursafar, Zahra Heydari, Alireza Fazelian, Mohammadreza Kolahdouz, Ebrahim Asl-Soleimani
Affiliations : School of Electrical and Computer Engineering, University of Tehran, Tehran, Iran

Resume : Recently, ultrathin films have attracted lots of attention for solar cell application, due to their low production cost, reduced carrier recombination rate, and high open-circuit voltage. Besides those mentioned merits, their main drawback is low light absorption at the wavelengths around their electronic bandgap due to the decreased optical travelling path length. Accordingly, applying light trapping schemes for obtaining high-efficiency thin film solar cells (TFSCs) is undoubtedly vital. In the past years, many light trapping techniques have been proposed, but applying plasmonic and more specifically the meta-material structures, engineered within the solar cell geometry, is one of the most efficient methods to manage and trap the incident light inside the active region of the photovoltaic cells. Here, we have proposed an ultrathin Si photovoltaics with the meta-material nanostructure and its light absorption and more specifically the related short-circuit current density properties of the structure were discussed by using the FDTD method. The averaged E-field distributions of three different structures were investigated and the related short-circuit current density enhancement mechanisms were analyzed. The obtained data demonstrate that the proposed structure results in 154.8% light absorption as well as 189.5% short-circuit current density enhancement efficiency compared to the reference structure, respectively.

A..83
17:45
Authors : Joyce S. Yeoh, Nicholas Churchill, Asim Riaz, Adrian Lowe
Affiliations : Research School of Engineering, The Australian National University, Canberra, ACT 2601, Australia

Resume : As the need of energy storage materials intensifies, so does the need to develop greener battery technology. Transition metal oxides have been widely researched as electrode materials, and one method of synthesising them is via oxalate decomposition. Interestingly, although oxalates may serve as a form of small scale carbon storage, transition metal oxalates have been used as precursors more frequently than they have been applied directly as electrode materials. Working towards greener battery electrode materials, we investigated the use of rust and scrap steel as a source of Fe for LIB anodes. These common waste materials were converted into the form of oxalates, characterised and their electrochemical performance compared against that of iron oxides. Results suggest that while oxalates are electrochemically active when reacted with lithium, oxides made from oxalate precursors are still more reliable. Advantages and disadvantages of using oxalates directly and as a precursor to oxides will also be discussed whilst considering electrochemical performance and sustainability. The opportunity to use waste to form battery electrodes materials, and the feasibility of using these battery electrode materials for small scale carbon storage will also be discussed.

A..84
17:45
Authors : Seokhoon Choi, Ki Chang Kwon, Soo Young Kim, Ho Won Jang
Affiliations : Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 08826, Republic of Korea; Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 08826, Republic of Korea; School of Chemical Engineering and Materials Science, Chung-Ang University, Seoul 06974, Republic of Korea; Department of Materials Science and Engineering, Research Institute of Advanced Materials, Seoul National University, Seoul 08826, Republic of Korea;

Resume : We successfully synthesized transparent and transferrable anion-engineered molybdenum disulfide thin-film catalysts through a facile thermolysis method by using [(NH4)2MoS4] solution and powder precursors with different weight ratios of sulfur/phosphorus. The structure of synthesized sulfur-doped molybdenum phosphide (S:MoP) thin film gradually changed from a two-dimensional van der Waals structure to a three-dimensional hexagonal structure by introduction of phosphorus atoms in the MoS2 thin film. The S:MoP thin film catalyst, which is made up of inexpensive and earth abundant elements, could enable the planar p-type Si photocathodes to obtain the lowest onset potential and the highest photocurrent density. The density functional theory calculations show that the surface of S:MoP thin films absorb hydrogen better than that of pristine MoS2 thin films. The structurally engineered thin film catalyst facilitates the easy transfer of photogenerated electrons from the light absorber (p-Si) to the electrolyte. Anion-engineering of the MoS2 thin film catalyst would be an efficient way to enhance the catalytic activity for photoelectrochemical water splitting.

A..85
17:45
Authors : Asim Riaz, Joyce S. Yeoh, Wojciech Lipinski, Adrian Lowe
Affiliations : Research School of Engineering, The Australian National University

Resume : Traditional technique of dry and steam reforming of methane is thermodynamically limited for methane conversion and CO selectivity. The regeneration of oxygen carriers is also another significant challenge due to carbon deposition on the material?s surface. Recently, chemical looping reforming technique has been utilized for syngas (H2/CO) production, and has addressed these challenges to some extent. The process involves an additional step of introducing oxygen after the oxidation step that is either water splitting (WS) or Carbon dioxide splitting (CDS). However, using oxygen and methane supply lines together at temperatures as high as 1000°C might be catastrophic. To minimize risks, the use of separate reactors for reduction and oxidation is a possible solution, albeit potential increases in expense and complexity. Here, cerium vanadate has been investigated as an oxygen carrier. Using this material, consecutive WS and CDS cycles were optimized as an alternative to chemical looping reforming of methane. Results indicate that our material has enhanced cycling performance with high overall syngas production rates. In addition, the alternating WS and CDS steps provide an opportunity for selective conversion to H2 or CO during the oxidation step.

A..86
17:45
Authors : Yanjiao Ma, Stefano Passerini, Dominic Bresser
Affiliations : Helmholtz Institute Ulm (HIU), Helmholtzstrasse 11, 89081 Ulm, Germany Karlsruhe Institute of Technology (KIT), P.O. Box 3640, 76021 Karlsruhe, Germany

Resume : Searching for alternative anode materials with high capacity and rate capability is vital for the development of high-energy, fast-chargeable Li-ion batteries [1]. Herein, we report on conversion/alloying-type transition metal (TM) doped SnO2, providing specific capacities up to 1130 mAh g-1 with excellent high-rate performance. To understand the impact of the TM dopant, a series of samples with the general formula Sn1-xTMxO2 and with TM=Fe, Mn, or Co (0.05 ? x ? 0.15) has been synthesized and subjected to an in-depth comparative investigation regarding their structure, morphology, and electrochemical behavior. The results reveal that the incorporation of the dopant, in general, greatly enhances the reversibility of the alloying and conversion reaction, while the choice of the doping element and its concentration eventually govern the particle morphology, average delithiation potential, long-term cycling stability, and rate capability [2,3]. The detailed knowledge about these impact factors will eventually allow for the realization of the most suitable anode design for this specific material family and, moreover, the realization of high-performance conversion/alloying anode materials in general. References [1] D. Bresser et al., Energy Environ. Sci. 9 (2016) 3348?3367. [2] Y. Ma et al, submitted manuscript. [3] Y. Ma et al., Electrochim. Acta. 277 (2018) 100?109.

A..87
17:45
Authors : I.A. Gabaldón-Saucedo, E. Gutiérrez, A. Rodríguez-Rodríguez, M. C. García-Guitérrez, A. Nogales, E. Rebollar, A. Vilà, T. A. Ezquerra, A. Cirera.
Affiliations : I.A. Gabaldón-Saucedo, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; E. Gutiérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Rodríguez-Rodríguez, J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-18223 Prague 8, Czech Republic.; M. C. García-Guitérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Nogales, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; E. Rebollar, Instituto de Química Física Rocasolano (IQFR-CSIC), Serrano 119, 28006, Madrid, Spain.; A. Vilà, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; T. A. Ezquerra, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Cirera, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.

Resume : The selection of additives and solvents is an important factor to take into account for the deposit of organic films. The resulting interaction can lead to a specific arrangement of molecular species [1]. In energy applications, poly (3-hexylthiophene-2, 5-diyl) (P3HT) has been blended with [6, 6]-phenyl-C61-butyric acid methyl ester (PCBM) to be incorporated into the photoactive layers of organic solar cells (OSC). One challenge on conducting polymers is how to increase the crystalline arrangement of these species in order to improve their functionality [2]. An alternative solution to deposit organic films with a controlled architecture has been addressed with the use of inkjet printing technology [3-5]. In this work, a molecular stabilizer was used to deposit a blend of P3HT and PCBM over PEDOT:PSS/ITO-glass substrates. The resulted films were studied in detail in three different levels by employing Grazing Incidence Wide-Angle X-Ray Scattering (WAXS) using synchrotron radiation at the European Synchrotron (ESRF), in France. Additionally, Raman spectroscopy was used to study the effect of the additive in the molecular conformation of P3HT. The comprehension of molecular interactions particularly carried out in inkjet printing technology, would lead to new pathways for nanostructuring of P3HT:PCBM blends. References 1. Wang, W., Song, L., Magerl, D., Moseguí González, D., Körstgens, V., Philipp, J., F., Moulin, Müller-Buschbaum, P. (2018). Influence of Solvent Additive 1,8-Octanedithiol on P3HT:PCBM Solar Cells. Advanced Functional Materials, 1800209, 1–9. 2. Campoy-Quiles, M., Ferenczi, T., Agostinelli, T., Etchegoin, P. G., Kim, Y., Anthopoulos, T. D., Stavrinou, P. N., Bradley, D. D. C, Nelson, J. (2008). Morphology evolution via self-organization and lateral and vertical diffusion in polymer:fullerene solar cell blends. Nature Materials, 7(2), 158–164. 3. Kumatani, A., Liu, C., Li, Y., Darmawan, P., Takimiya, K., Minari, T., & Tsukagoshi, K. (2012). Solution-processed, self-organized organic single crystal arrays with controlled crystal orientation. Scientific Reports, 2. 4. Minemawari, H., Yamada, T., Matsui, H., Tsutsumi, J. Y., Haas, S., Chiba, R., Kumai, R., Hasegawa, T. (2011). Inkjet printing of single-crystal films. Nature, 475(7356), 364–367. 5. Lim, J. A., Lee, W. H., Kwak, D., & Cho, K. (2009). Evaporation-Induced Self- Organization of Inkjet-Printed Organic Semiconductors on Surface-Modified Dielectrics for High-Performance Organic Transistors. Langmuir, 25(9), 5404–5410.

A..88
17:45
Authors : Crina Anastasescu_1, Veronica Bratan_1, Silviu Preda_1, Mihai Anastasescu_1, Irina Atkinson_1, Dana Culita_1, Catalin Negrila_2, Maria Zaharescu_1, Ioan Balint_1
Affiliations : 1_“Ilie Murgulescu” Institute of Physical Chemistry of the Romanian Academy, Spl. Indepentei 202, Bucharest, Romania 2_National Institute of Material Physics, P. O. Box MG 7, Magurele, Romania

Resume : In situ generated template-assisted synthesis of SiO2 nanotubes leads to materials rich in Si3 and oxygen-related lattice defects. The intraband defects are able to convert the absorbed the solar light (AM 1.5) in chemical energy via degradation of an organic substrate in aqueous media. Further material optimization was carried out by functionalization of silica surface with 3-triethoxysilyl propylamine followed by deposition of mono and bimetalls (Au, Pd, Pt). The average size of well-dispersed metal nanoparticles was in the 2-7 nm range. The resulted light harvesting materials were throughout investigated by various experimental techniques. The surface-deposited metals enhanced hydrogen production by improvement of photo-generated charge separation and by favorable mediation of redox processes via by SPR (Surface Plasma Resonance) phenomenon. MEN-UEFISCDI, Grant No. 46 PCCDI / 2018 is gratefully acknowledged

A..89
17:45
Authors : I.A. Gabaldón-Saucedo, E. Gutiérrez, A. Rodríguez-Rodríguez, M. C. García-Guitérrez, A. Nogales, A. Vilà, E. Rebollar, T. A. Ezquerra, A. Cirera.
Affiliations : I.A. Gabaldón-Saucedo, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; E. Gutiérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Rodríguez-Rodríguez, J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-18223 Prague 8, Czech Republic.; M. C. García-Guitérrez, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Nogales, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Vilà, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.; E. Rebollar, Instituto de Química Física Rocasolano (IQFR-CSIC), Serrano 119, 28006, Madrid, Spain.; T. A. Ezquerra, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 121, 28006, Madrid, Spain.; A. Cirera, Departament d’ Enginyeria Electrònica i Biomèdica, IN2UB-Universitat de Barcelona, 08028, Barcelona, Spain.

Resume : Extrinsically nanostructured conducting polymers are promising materials for diverse applications in electronic devices. As most of semicrystalline polymers, conducting and semiconducting polymers are characterized by an intrinsic nanostructure typically consisting in crystalline lamellae embedded within an amorphous phase [1]. The presence of an amorphous phase usually is a drawback as far as electronic transport is concerned. In amorphous polymers, electronic transport does not take place through well-defined bands but rather through disordered induced localized states generated within the energy band gap [2,3]. Extrinsically nanostructuring of conducting polymers can be a possibility to selectively control electrical conductivity in this type of materials [4]. In particular, Laser Induced Periodic Surface Structures (LIPSS) can be produced by irradiation with multiple laser pulses the polymer surface [4,5]. The energy transferred to the material alters structures in both crystalline and amorphous phases [6-8]. Although this phenomena has been investigated in different type of polymers, research for Poly-3,4-ethylenedioxythiophene (PEDOT:PSS) is still missing. This study focuses on the nanostructuring by LIPSS of several PEDOT:PSS films after laser irradiation in nanosecond pulses (266 nm, Nd:Y3Al5O12) to form gratings. The films were deposited using electrospray deposition, inkjet printing, and drop casting techniques. The structural analysis was performed via Grazing Incidence Small Angle X-Ray Scattering (GISAXS) using synchrotron radiation at the European Radiation Facility (ESRF, Grenoble, France). The films were also analyzed using Conductive Atomic Force Microscopy (C-AFM) to understand how the changes in the structure impact electrical current in valleys and ridges of LIPSS. Our findings can provide further insights into the underlying mechanism of LIPSS formation. References 1. Strobl, G.; The Physics of Polymers: Springer: Berlin, 1996. 2. Mott, N. F.; Davis, E. A. Electronic Processes in Non-Crystalline Materials; Clarendon Press : Oxford, 1979. 3. Ezquerra, T. A.; Rühe, J.; Wegner, G. Chemical Physics Letters 1988, 144, 194. 4. Rodríguez-Rodríguez, Á.; Rebollar, E.; Soccio, M.; Ezquerra, T. A.; Rueda, D. R.; García-Ramos, J. V.; Castillejo, M.; Garcia-Gutierrez, M. C. Laser-Induced Periodic Surface Structures on Conjugated Polymers: Poly(3-Hexylthiophene). Macromolecules 2015, 48 (12), 4024–4031. 5. Bonse, J., Höhm, S., Kirner, S., Rosenfeld, A., & Krüger, J. (2016). Laser-induced Periodic Surface Structures (LIPSS) - A Scientific Evergreen. Conference on Lasers and Electro-Optics, 23(3). 6. Huang, M., Zhao, F., Cheng, Y., & Xu, Z. (2012). Effects of the amorphous layer on laser-induced subwavelength structures on carbon allotropes. Optics Letters, 37(4), 677–9. 7. Wong, W. Y. Y., Wong, T. M., & Hiraoka, H. (1997). Polymer segmental alignment in polarized pulsed laser-induced periodic surface structures. Applied Physics A: Materials Science & Processing, 65, 519–523. 8. Birkholz, M., Selle, B., Fuhs, W., Christiansen, S., Strunk, H. P., & Reich, R. (2001). Amorphous-crystalline phase transition during the growth of thin films: The case of microcrystalline silicon. Physical Review B - Condensed Matter and Materials Physics, 64(8), 1–9.

A..90
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Authors : Manel Ben Osman 1*, Alexis Grimaud 2 and Christel Laberty-Robert 1.
Affiliations : 1 Sorbonne Université, UPMC Univ Paris 06, CNRS, Collège de France, Chimie de la Matière Condensée de Paris, 75005 Paris, France. 2 Chimie du Solide et de l?Energie, FRE 3677, Colle?ge de France, 75231 Paris Cedex 05, France

Resume : Lithium-air batteries have attracted significant attention over the past decade thanks to their relatively high theoretical energy densities compared to other energy devices including Li-ion batteries [1] which make them suitable for transport applications. However, this technology requires significant advances from a fundamental level to technological engineering before their viable marketing. Indeed, in aprotic solvent the lithium peroxide formed on the surface of the cathode material is insoluble and electrically insulating which blocks progressively the pore of the electrode leading to an incomplete discharge. Additionally, there are some issues concerning the electrolyte stability, which results in a decrease of the life time of the cells. Recently the carbon materials were widely used due to their large specific surface area, high electrical conductivity, excellent physicochemical stability, and low cost [2]. In this project, nanofibrous carbon paper with various porosities were prepared via electrospinning monitoring a wide range of fabrication conditions and then were tested upon cycling in full air battery with adapted electrolyte. The major aim of this work is to identify i) the best microstructure of the carbon electrode leading to higher discharge/charge capacities as well as ii) the key parameters governing the electrochemical processes occurring at the non-aqueous Li?air cathode. Our complete research strategy is devoted to a deeper understanding of the mechanism of formation/dissolution of the lithium peroxide which is critical to enhance the performances of these promising energy devices. In this contribution, we present our recent results dealing with the rationalization of the correlation between the microstructural properties and the electrochemical behaviors of electrospun carbon materials depending on the preparation and the set-up parameters. [1] Alan C. Luntz and Bryan D. McCloskey, Chem. Rev. 2014, 114, 11721?11750. [2] H. Woo, J. Kang, J. Kim, C. Kim, S. Nam and B. Park, Electron. Mater. Lett., 2016, 12, 551-567.

A..91
17:45
Authors : Tae-Ho Kim, Jae Hee Han, Ji Hee Kim, Sohee Kim, Young Taik Hong
Affiliations : Membrane Research Center, Korea Research Institute of Chemical Technology (KRICT)

Resume : A new water-soluble multifunctional binder system based on the blend of carboxymethyl cellulose and crosslinkable polyethylene oxide-polypropylene oxide block copolymer has been developed and utilized for the fabrication of carbon electrodes in non-aqueous supercapacitors. Due to the presence of polyethylene oxide segments with high affinity for the non-aqueous electrolytes, the developed binder presented excellent ionic conductivities over 10^-4 S/cm both in organic electrolyte (tetraethylammonium tetrafluoroborate (TEA-BF4)/acetonitrile (AN)) and ionic liquid (1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (EMIM-TFSI)). Moreover, the binder system with hydrophilic-hydrophobic block copolymer structure could act as an effective dispersion agent to suppress the agglomeration of carbon materials. The adhesion strength of the carbon electrode with our binder system was approximately 23% higher than that of the conventional binder. Consequently, the non-aqueous supercapacitor based on typical activated carbon and our binder system exhibited enhanced electrochemical performances with high specific capacitance, exceptional rate capability (93% capacity retention at 100 A/g), and good cycling stability.

A..92
17:45
Authors : Salvador Eslava, Min Su Park, and Emma Freeman
Affiliations : University of Bath

Resume : Facile and effective approaches for the synthesis of nanostructured materials are key in the development of photocatalysts and photoelectrodes for solar water splitting. Here, we present the use of an amphiphilic poly(vinyl chloride)-graft-poly(oxyethylene methacrylate) PVC-g-POEM graft copolymer as a pore template for the formation of porous nanostructured LaFeO3 photocathodes and Fe2O3 hematite photoanodes. LaFeO3 is a promising photocathode material but it requires high temperature preparation, which limits its surface area and photocurrent response (< 50 µAcm-2). The use of this copolymer as a pore template however allows for the first time to produce good quality LaFeO3 films with photocurrents above 100 µAcm-2. In the case of hematite films, this copolymer and the addition of HCl in the hematite precursor disperses and dissolves hematite that re-precipitate as FeOOH, leading in final films to a more pronounced hematite (110) plane, a more hydroxylated surface and finer nanostructures, achieving photocurrents around 1 mAcm-2 at 1.23 VRHE. The hydrophilic POEM side chains selectively interact with the precursors allowing both their homogeneous dispersion and their eventual spin coating forming good quality films. This work demonstrates the synergies and benefits of using an amphiphilic graft copolymer to assist in the preparation of metal oxide porous photoelectrodes by a solution process with scale-up capability.

A..93
17:45
Authors : 1Sumeyra Buyukcelebi, 2Mahmut Kus
Affiliations : 1Selcuk University, Advanced Technology Research and Application Center, Konya/TURKEY 2Selcuk University, Departmant of Chemical Engineering, Konya/TURKEY

Resume : Polymer-fullerene bulk heterogeneities (BHJ) have been widely studied because of their promising advantages. Various methods have been developed to increase the power conversion efficiency (PCE) of BHJ polymer solar cells, such as optimizing the morphology of the active layer and using different device structures. Among these methods, controlling the morphology of the P3HT/PCBM blend film is the most important way for achieving a good device performance [1, 2, 3]. We have investigated the effects of anti-solvent exposure on the properties of P3HT/PCBM blend films employed as active layers in organic solar cell. After anti-solvent exposure (solvent washing), the P3HT:PCBM thin films were characterized for morphology with Atomic Force Microscope technique. As a result of this study, it has been found that use of the anti-solvent on the organic active layer significantly influences the micro/nano scale morphology and phase segregation of the P3HT:PCBM thin films, as well as the charge carrier mobility. We observed that much faster phase separation in P3HT/PCBM films and improving the performance of the produced BHJ PV cells.

A..94
17:45
Authors : Irene Rosina, Luca De Trizio, Liberato Manna Email: irene.rosina@iit.it
Affiliations : Department of Nanochemistry, Istituto Italiano di Tecnologia (IIT), via Morego, 30, 16163 Genova, Italy Email: irene.rosina@iit.it

Resume : The limited availability of fossil fuel and its environmental impact are pushing the scientific research toward the exploitation of alternative renewable energy sources, such as the solar energy. Materials for photovoltaic (PV) devices, which are able to convert light into electric energy, are going to play an ever-increasing role in the near future. Among the most cost effective materials in the photovoltaic market, CdTe has been recognized the most promising after Si, especially in the thin film PV cells.[4] An attractive yet economical way to fabricate these devices consists of using inks of nanocrystals that are deposited via low-cost method, like ink jet printing. However, there are essentially two aspects to consider: the first is the ligand-shell stabilizing the colloidal nanocrystals and the second are the all-isolated nanocrystals configuration. With regard to the organic ligand, since it constrains the charge transfer efficiency among the nanocrystals [6], the approach adopted in literature is a post-synthesis step of ligand stripping [5]. On the other hand, the all-isolated nanocrystals configuration after the stripping, leads to a carriers leak because grain boundary situation is a critical zone where generation-recombination mechanism such Auger and Schockley-Read-hall process take place affecting the performance of the solar cell. [2,3] For these reasons, the ligand stripping is followed by an annealing step, usually around 350°C, to allow the coalescence of nanocrystals. Indeed, since it promotes the grain growth, it is connected to three important consequences. The first is the grain boundary necking formation. The second one is related to the accomplishment of a larger thin film with lower thickness, which means a reduced charge recombination. In these devices the thickness of the active layer plays an important role as it governs both the absorption of the device and the carriers recombination. An optimal thickness is, therefore, desired to optimize the former and to minimize the latter. annealing is an effective way to achieve this goal. The goal of this work is to exploit cation exchange reactions on wurtzite CdTe nanocrystals (NCs) to obtain metastable nanoheterostructures (NHCs) which evolve, under mild conditions, into stable sintered cubic CdTe crystals. The idea behind this approach is that CE reactions allow for the formation of kinetically accessed heterostructures whose direct synthesis is challenging using traditional hot-injection methods.[1] Moreover, despite the ligand exchange and stripping chemistries have been widely used, their basic mechanistic are still to the beginning [7] and some nanocrystals are not prone to the ligand removal and they may exhibit colloidal instabilities if the exposed metal cations desorb from the surface during the stripping [7]. On the contrary, by exploiting the cation exchange reaction, we are able to avoid the post-process ligand stripping. Nonetheless, the annealing step still follows the deposition layer, but milder conditions are needed. [1] D. H. Son, “Cation Exchange Reactions in Ionic Nanocrystals,” Science (80-. )., vol. 306, no. 5698, pp. 1009–1012, 2004. [2] W. Shockley and W.T. Read, Phys. Rev. 87, 835 (1952). [3] R.N. Hall, Phys Rev. 87, 387 (1952) [4] AlaaAyadAl-mebir, PaulHarrison, AliKadhim, GuanggenZeng, andJudyWu, Effect of In Situ Thermal Annealing on Structural, Optical, and Electrical Properties of CdS/CdTe Thin Film Solar Cells Fabricated by Pulsed Laser Deposition, AdvancesinCondensedMatterPhysics, 2016 [5] Hao Zhang, J. Matthew Kurley, Jake C. Russell, Jaeyoung Jang, and Dmitri V. Talapin, Solution-Processed, Ultrathin Solar Cells from CdCl3−‑Capped CdTe Nanocrystals: The Multiple Roles of CdCl3− Ligands J. Am. Chem. Soc. 2016, 138, 7464−7467 [6] Dzhagan, Lokteva, Himcinschi, X. Jin, Kolny-Olesiak, Zahn, Phonon Raman spectra of colloidal CdTe nanocrystals: effect of size, non-stoichiometry and ligand exchange, Nanoscale Research Letters 2011, 6:79 [7] Doris, Lynch,Li,Wills,Urban,and Helms, Mechanistic Insight into the Formation of Cationic Naked Nanocrystals Generated under Equilibrium Control J. Am. Chem. Soc. 2014, 136, 15702−15710

A..95
17:45
Authors : Giulia Piana1, Simone Galliano2, Guido Viscardi2, Michael Grätzel3, Claudio Gerbaldi1, Claudia Barolo2-4, Federico Bella1
Affiliations : 1) GAME Lab, Department of Applied Science and Technology - DISAT, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 – Torino, Italy; 2) Department of Chemistry, NIS Interdepartmental Centre and INSTM Reference Centre, Università degli Studi di Torino, Via Pietro Giuria 7, 10125 - Torino, Italy; 3) Laboratory of Photonics and Interfaces, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Station 3, CH1015 – Lausanne, Switzerland; 4) ICxT Interdepartmental Centre, Università degli Studi di Torino, Lungo Dora Siena 100, 10153 – Torino, Italy

Resume : Aqueous electrolytes represent the new frontier of dye-sensitized solar cells (DSSCs), as they guarantee sustainability, safety and durability at the same time. After the initial concerns on the possibility of replacing nitrile-based organic solvents by water in the electrolyte, today the number of publications focused on the development of highly efficient aqueous DSSCs is rapidly increasing [1,2,3]. Post-treatment of the TiO2 photoelectrode that leads to the creation of an extra nanolayer of TiO2 is a well exploited method to improve the performance of standard DSSCs [4] and here, to our knowledge, investigated for the first time in water-based systems. In such a scenario, this work deals with the thorough understanding of the electrochemical and photoelectrochemical effects of the TiCl4 treatment onto TiO2 electrodes, a well-known process for traditional dye-sensitized solar cells. Hence, we propose here a thorough investigation of the procedure (in terms of experimental parameters) for TiCl4 treatment and its effects on the efficiency and long-term stability of laboratory scale assembled cells, thus finally demonstrating why and in which circumstances the TiCl4 treatment is able to greatly increase the performance of these emerging aqueous photovoltaic devices. Regardless of the sensitization process of the photoanode and the composition of the aqueous electrolyte, the sunlight conversion efficiency increased by over 120% when compared to the untreated solar cell counterparts. The electrochemical and photoelectrochemical investigation showed that both the photocurrent and the potential increased as a result of the TiCl4 treatment, and the decrease of the recombination phenomena at the electrode/electrolyte interface is evidenced by an increase of about 40% of the lifetime of photogenerated electrons. It is worth noting that 100% water-based solar cells can be reproducibly fabricated with efficiencies close to 2.5%, without any additive in the electrolyte nor redox pairs based on heavy metals like cobalt. This work represents a solid benchmark for future studies on these truly sustainable novel photoelectrochemical cells, which are under intense investigation from the scientific community worldwide References [1 ] R. Cisneros, M. Beley, F. Lapicque, P.C. Gros, Hydrophilic ethylene-glycol-based ruthenium sensitizers for aqueous dye-sensitized solar cells, Eur. J. Inorg. Chem. 2016 (2016) 33. [2 ] W. Xiang, J. Marlow, P. Bäuerle, U. Bach, L. Spiccia, Aqueous p-type dye-sensitized solar cells based on a tris(1,2-diaminoethane)cobalt(II)/(III) redox mediator, Green Chem. 18 (2016) 6659. [3 ] S. Galliano, F. Bella, G. Piana, G. Giacona, G. Viscardi, C. Gerbaldi, M. Grätzel, C. Barolo, Finely tuning electrolytes and photoanodes in aqueous solar cells by experimental design, Solar Energy, 163, (2018) 251. [4 ] S.W. Lee, K.S. Ahn, K. Zhu, N.R. Neale, A.J. Frank, Effects of TiCl4 treatment of nanoporous TiO2 films on morphology, light harvesting, and charge-carrier dynamics in dye-sensitized solar cells, J. Phys. Chem. C 116 (2012) 21285.

A..96
17:45
Authors : P. Ostapowicz [1], K. Pietak [1], G. Matyszczak [1], D. Jastrzebski [1], C. Jastrzebski [2], S. Podsiadlo [1]
Affiliations : [1] Faculty of Chemistry Warsaw University of Technology ul. Noakowskiego 3 00-664 Warsaw [2] Faculty of Physics Warsaw University of Technology ul. Koszykowa 75 00-662 Warsaw

Resume : We live in times of very high electricity consumption where non-renewable resources decrease rapidly. Hopefully, a group of materials called kesterite (CZTS) can solve this problem. It can be used as semiconductor in photovoltaics solar cells. Synthetic kesterites can be obtained in many stochiometric configurations by changing elements. Some of them has been extensively analyted but there are many unsearched forms. In this study, single crystals of kesterite derivatives were obtained by chemical transport method. The idea was to produce new combinations of elementals including: Mn, Ni, Cr, Co, Ge, Pb, Se instead of classic kesterite formula. The obtained crystals have been characterized with Raman spectroscopy, X-ray powder diffraction, Scanning Electron Microscope.

A..97
17:45
Authors : Shao-Yin Lin, Yi-Hong Tsai, Jeng-Yu Lin*
Affiliations : Department of Chemical Engineering, Tatung University

Resume : Generally, gas hydrate is nearly a prefect isolator with electrical resistivity of ca. 20,000 Ω·m. Therefore, the resistivity of seafloor sediments with brine-filled pores typically ranges from 0.5 – 1.0 Ω·m, whereas sediments containing hydrate within the pores can have resistivity of ca. 10 Ω·m. As for massive blocks of hydrate, it can have resistivity of 100 Ω·m or more. Up to date, electromagnetic (EM) and direct current resistivity (DCR) techniques are generally employed to explore gas hydrate by measuring electrical resistivity. Nevertheless, both of methods still require high-stability potential electrodes and current electrodes for monitoring the variance of potential difference under applied current sources. In this study, our group successfully developed solid-state Ag/AgCl potential electrodes and electropolished Ti current electrodes for the DCR exploration system with high stability, sensitivity and resolution. The developed four-electrode DCR system was employed for measuring the resistivity of the simulated seawater with different concentration. The corresponding analogical resistivity can be obtained by evaluating the analo-to-digital converter (ADC) values. Our group successfully employed the developed DC resistivity system to measure the analogue voltage changes in different concentrations of simulated seawater. For instance, the ADC value reached 780 when the analog voltage was at 628 mV for 0.033 wt% NaCl of simulated seawater. When increasing the concentration of simulated seawater up to 3.3wt% NaCl, the ADC value was achieved to 2800 under 2.25 V of analog voltage.

A..98
17:45
Authors : Matthew Zervos (a), Andreas Othonos (b), Eugenia Tanas? (c), and Eugeniu Vasile (c).
Affiliations : (a) Nanostructured Materials and Devices Laboratory, School Of Engineering, University Of Cyprus, Nicosia, PO Box 20537, Cyprus ; (b) Laboratory Of Ultrafast Science, Department of Physics, University Of Cyprus, Nicosia, PO Box 20537, Cyprus ; (c) Department of Science and Engineering of Oxides Materials and Nanomaterials, Politehnica University of Bucharest, 313 Splaiul Independentei, Bucharest, 060042, Romania

Resume : SnO2 nanowires (NWs) have been investigated extensively and are attractive for the realization of novel, energy storage and conversion devices. In the past we have shown that SnO2 NWs grown by the vapor liquid solid mechanism have a carrier density of 10^16 cm-3 and mobility of 70 cm2/Vs using THz conductivity spectroscopy (1). SnO2 is in essence a wide band gap semiconductor with an energy gap of 3.7 eV so doping is required to improve its conductivity and the performance of devices. So far Sb and Mo have been incorporated into SnO2 NWs while recently it was shown that Pb doping results into a strain induced semiconductor to metal transition. However Sb has been used in most cases but the amount of Sb used in conjunction with Sn has been limited up to Sb : Sn = 1 : 4. Moreover only a few have actually controlled the growth pressure and oxygen flow which are critical in controlling and improving the electrical properties of the Sb:SnO2 NWs. In this talk the doping and conductivity limitations of Sb:SnO2 NWs will be described in detail which is important in improvising new growth methodologies to increase its conductivity beyond the state of the art. We show that the attainment of high, metallic like conductivities in Sb :SnO2 NWs is limited by the fact that one dimensional growth is completely suppressed when the vapor pressure of Sb exceeds a certain limit and Sb : Sn > 9 : 1. In addition we show that controlling the growth pressure is constitutive for the incorporation of Sb into the Sb:SnO2 NWs at elevated temperatures. We have obtained Sb:SnO2 NWs on fused SiO2 with the highest conductivity of 4000 S/m as shown by THz conductivity spectroscopy at temperatures as low as 700C. Finally we show that high conductivity free standing Sb:SnO2 NWs may be grown aligned on Al2O3 but also on a variety of different substrates including flexible C fiber networks and metal foils which is important for the realization of state of the art solar cells and high performance super capacitors (2). (1) D.Tsokkou, A.Othonos and M.Zervos,' THz conductivity spectroscopy of SnO2 nanowires', Applied Physics Letters, 100, p.133101(2012). (2) An, G.H.; Lee, D.Y.; Lee, Y.J.; Ahn, H.J.; Ultrafast Lithium Storage Using Antimony-Doped Tin Oxide Nanoparticles Sandwiched between Carbon Nanofibers and a Carbon Skin ACS Appl. Mater. Interfaces 2016, 8, 30264?30270.

A..99
17:45
Authors : H.Hafs; O.Ansari; A.Bah; M.Asbik; M.Malha.
Affiliations : Energy Research Center, Thermal and Energy Research Team (ERTE) ENSET- Mohammed V University in Rabat, Morocco

Resume : A numerical simulation is investigated in this work to enhance the productivity of solar still; modified system consists of water with oxide Aluminum nanoparticles (Al2O3) integrated with phase change material (PCM) to store heat during the solar radiation period and restitute it during the night. We studied firstly the influence of volume fraction variations for three concentrations (0.02%, 0.1% and 0.2%) on the productivity of solar still, the numerical results showed that the productivity increase as well as the volume fraction increase, in the second step we added different masses of paraffin wax with nanofluid (?p=0.2%) the results showed that the daily freshwater reached a maximum value of 7.74kg/m² with mpcm=20kg, compared to 6.67kg/m² for the modified solar still with nanofluid and without PCM, and to 5.23kg/m² for the conventional solar still. Keywords- Passive Solar Still; Nanofluid; Heat Storage System; Nanoparticles.

A..100
17:45
Authors : Michael Bosch (1), Fabian Waidhas (2), Olaf Brummel (2), Jörg Libuda (2), Julien Bachmann (1,3)
Affiliations : (1) Chair of Chemistry of Thin Film Materials, Friedrich-Alexander University Erlangen-Nürnberg, Egerlandstraße 3a, 91058 Erlangen, Germany; (2) Chair of Physical Chemistry II, Friedrich-Alexander University Erlangen-Nürnberg (FAU), Egerlandstr. 3, 91058 Erlangen, Germany; (3) Saint-Petersburg State University, Institute of Chemistry, Universitetskii pr. 26, 198504 St. Petersburg, Russia

Resume : Our research focuses on the (photo-)electrochemical investigation of norbornadiene and its high-energy isomer quadricyclane as an alternative for converting and storing solar energy. The electrochemically triggered conversion of quadricyclane back to norbornadiene may lead to the design of an efficient as well as controllable heat battery system. Towards this goal, the operation conditions, such as electrode material, solvent, supporting electrolyte and applied potential, must be tuned to minimize the losses due to radical side reactions at the electrode surface and optimize the system’s reversibility. Electrochemical measurements are performed in dilute and neat conditions. It is substantial to use high concentrations of the isomer to achieve high energy densities to compete with other solar energy technologies. Model electrode materials such as Pt, Au and glassy carbon are employed in standard electrochemical techniques to understand the behavior of the system and later apply that knowledge to more advanced electrodes. We envision that the isomer pair could be included into photovoltaic cells based on the dye-sensitized design and enable not only the direct conversion of solar energy to electricity, but also its storage in fuel form in a ‘battery’ mode thanks to the metastable high-energy isomer. In a first step along this line, we compare a number of semiconductors as electrode materials to prove the principle of a photovoltaic effect based on this pair of valence isomers.

A..101
17:45
Authors : Gonçalo Domingos, Tiago Kalil Cortinhas Alves, Duarte Moço, Elsa Branco Lopes, António Pereira Gonçalves
Affiliations : C²TN, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, 2695-066 Bobadela LRS, Portugal

Resume : Tetrahedrites are world spread copper sulfosalt minerals that show high potential for thermoelectric applications due to their intrinsically low thermal conductivities. They have the Cu12Sb4S13 general formula and crystallize in a body centered cubic symmetry, being based on earth-abundant and non-toxic materials. The highest thermoelectric figures of merit are reached after the proper tuning of carrier concentration (through appropriate doping with transition metals or tellurium) or by changing the valence band configuration (via the substitution of sulfur for selenium or antimony for bismuth). Here we present the preparation of Cu12-xMxSb4S13-ySey (M = Co, Mn, Ni, Fe, Cd, Zn; 0?x?2, 0?y?1) double substituted tetrahedrites and their preliminary crystallographic, microstructural and thermoelectric characterization. These studies indicate that the x~0.5 substitutions lead to the largest power factor values, while higher substitutions strongly increase the electrical resistivity and decrease the power factor, pointing to an optimized small value. Additionally, the increase of Se content up to y=1 leads to an increase of the power factor.

A..102
17:45
Authors : Sohaila Z. Noby, Ka. Kan. Wong, Lukas Schmidt-Mende Physics department, Konstanz university, Germany
Affiliations : Nano-wires metal oxides

Resume : Abstract: Recently, nanostructure transition metal oxides have attracted much attention as gas sensors due to their low cost fabrication, high sensitivity, fast response time, robust stability and direct electronic interface. Moreover, nanostructure materials provide extremely high surface-to-volume ratio, which is great advantage for gas sensors with high sensing performance. Molybdenum oxide (MoO3) is an n-type semiconductor with 3.2 eV band gap, which is used in a wide range of applications including catalysis, organic light-emitting diodes, organic photovoltaic and sensors. Recently, there is an increasing interest of using nanostructures MoO3 for gas sensing application. In the present work, we demonstrate the controlled growth of self-standing MoO3 nanowires and their gas sensing performance. MoO3 nanowires were synthesized on transparent conducting substrate using solvothermic technique. Various post-annealing treatments were used to produce different oxygen contents in MoO3 nanowires. The effect of oxygen vacancies in MoO3 nanowires on morphological, optical and electronic properties was investigated.

A..103
17:45
Authors : Oleksii Klymov(1), Núria Garro(1), Ana Cros(1), Elisa Palacios(2), Jaime Colchero(2), E. Istif(3), Ana M. Benito(3), and Wolfgang K. Maser(3)
Affiliations : 1) Univ. Valencia, Instituto de Ciencia de Materiales ICMUV, E-46071 Valencia, Spain; 2) Univ. Murcia, Campus Espinardo, E-30100 Murcia, Spain; 3) Instituto de Carboquímica (ICB-CSIC), E-50018 Zaragoza, Spain;

Resume : Solution processed graphene oxide (GO) has attracted great attention as a hole transport layer in organic and hybrid organic-inorganic solar cells. The ability of GO to act as an amphiphilic macromolecule facilitates the formation of complexes with organic materials and oxides as well as thin film processing for device integration. Recently, charge transfer has been demonstrated in complexes of GO sheets and poly(3-hexylthiophene) nanoparticles (P3HT NPs) prepared by self-assembly in-situ reprecipitation [1]. In this work we present a study of the local interaction of GO sheets and P3HT or ZnO NPs in the form of thin films from the micro- to the nano-scale. The homogeneity of the thin-film materials, which can affect critically the performance of the devices, has been investigated with 1 um resolution by simultaneous Raman and photoluminescence (PL) measurements. Raman and PL spectra provide local information correlating the chemical composition with optoelectronic transitions. Images of the thin film topography and work function with 10 nanometer resolution are obtained by Kelvin probe force microscopy. We observe an increase in work function of the NPs upon above band-gap illumination. All the experimental findings can be interpreted as the result of effective charge transfer highly dependent on the local chemical composition. [1] E. Istif, J. Hernández-Ferrer, E. P. Urriolabeitia, at el., Adv. Funct. Mater., 1707548, 2018.

A..104
17:45
Authors : Anne A. Y. Guilbert, Mohamed Zbiri, Jenny Nelson
Affiliations : Centre for Plastic Electronics and Department of Physics, Blackett Laboratory, Imperial College London, London SW7 2AZ, United Kingdom; Institut Laue-Langevin, 71 avenue des Martyrs, Grenoble Cedex 9, 38042, France; Centre for Plastic Electronics and Department of Physics, Blackett Laboratory, Imperial College London, London SW7 2AZ, United Kingdom

Resume : Structural dynamics of the active layer of organic photovoltaic (OPV) devices is known to influence their performance and lifetime. Poly(3-hexylthiophene-2,5-diyl) (P3HT) is a widely studied conjugated polymer, which exhibits a glass transition around room temperature, and consequently, is sensitive to temperature variations. We study the dynamics of blends of P3HT and Phenyl-C61-butyric acid methyl ester (PCBM) as a function of temperature, by comparing quasi-elastic neutron scattering (QENS) with molecular dynamics simulations (MD). We use the deuteration technique for a contrast variation purpose to access not only the dynamics of the polymer but also the dynamics of PCBM within the blends. We observe, on the picosecond and nanosecond timescales, that the faster polymer dynamics is frustrated upon blending with PCBM, while the slower fullerene dynamics is promoted upon blending with P3HT.[1] We find a good agreement between the simulated and experimental data within the explored time window. MD analysis allows us (i) to identify and to assign contributions to the QENS signal from different parts of P3HT and PCBM, (ii) to study separately different phases of the active layers e.g. neat P3HT and PCBM phases and amorphous mixtures of P3HT and PCBM, and (iii) to explore longer time scales beyond the experimental time window limit. To further study the slower dynamics of PCBM in the blend, we coarse-grain P3HT and use an adaptive resolution scheme where PCBM is represented fully atomistically. The MD simulation suggests that in the amorphous mixtures of P3HT and PCBM, P3HT is partially wrapping around PCBM.[2] To further probe this specific interaction, we carry out inelastic neutron scattering (INS) experiment on the same samples and blends of regiorandom-P3HT:PCBM of different compositions. Calculations at the DFT level allow us to compare directly our models with the INS spectra and to validate the models from MD simulation. We speculate that the partial wrapping of P3HT around PCBM is responsible for the relatively high miscibility of PCBM with P3HT. Further, we calculate from our MD simulations the Flory-Huggins interaction parameter, which is subsequently coupled with a phase-field simulation of the bulk-heterojunction development upon heating. References: [1] A. A. Y. Guilbert et al., J. Phys. Chem. Lett. 7, 2252 (2016). [2] A. A. Y. Guilbert et al., J. Phys. Chem. B, 121, 9073 (2017).

A..105
17:45
Authors : Havva Eda Aysal(1,2) , Do?ancan Sar?(1,2), Fatih Pi?kin(1,3), Tayfur Öztürk(1,2)
Affiliations : (1) Center for Energy Materials and Storage Devices, Middle East Technical University, 06800 Çankaya, Ankara (2)Department of Metallurgical and Materials Engineering, Middle East Technical University, 06800 Çankaya, Ankara (3) Department of Metallurgical and Materials Engineering, Mugla S?tk? Kocman University, 48000; Mugla

Resume : The composition and microstructure of cathode materials has a large impact on the performance of solid oxide fuel cells (SOFCs). It was recently shown [1] that the sputter deposited (La0.8Sr0.2) CoO3 (LSC-113) - (La0.5Sr0.5)2CoO4 (LSC-214) dual phase cathode yield the best performance where the mixture had an amorphous-like structure. In this study a composite cathodes LSC113-LSC214 and LSF-LSM were synthesized via thermal plasma using a large flow rate of quenching gas yielding fine non-equilibrium cathode powder. The purpose is to see if similar performance improvement could be obtained with plasma synthesized composite powders. The powders were screen printed onto suitable electrolytes and were characterized based on EIS responses using a symmetric cell. [1] Sari D., Piskin F., Torunoglu Z.C., Yasar B., Kalay Y., Ozturk T., Combinatorial development of (La,Sr)CoO3-(La,Sr)2CoO4 composite cathodes for IT-SOFCs, submitted to Solid State Ionics.

A..106
17:45
Authors : E.M.Lotfi *, M. El Mahi *, N. Touach *, A.Benzaouak *, S.Louki *, V.M. Ortiz-Martínez * *, M.J. Salar-García * *, F. Hernández-Fernández * * and A.P de los Ríos * * *
Affiliations : * Equipe de Recherche Sciences, Matériaux, Eau et Environnement, Centre de Recherche : Eau, Ressources Naturelles, Environnement et Développement Durable, ENSET, Mohammed V University in Rabat, Morocco * * School of Chemical and Environmental Engineering, Polytechnic University of Cartagena, Campus Muralla Del Mar Murcia, Spain. +34 968325551. * * *University of Murcia, Chemical Engineering Department, Campus de Espinardo, E-30071 Murcia. +34 868 88 9112.

Resume : Microbial fuel cell (MFC) is a bio-electrochemical system that can directly convert chemical energy contained in effluent in bioelectricity through microorganisms. The cathode choice affects heavily the performance of this device. Indeed, the efficiency of these devices in terms of power and load reduction (COD, heavy metals) depends among other things on the reduction reaction of oxygen on the cathode. In this work, we have tested novel types of model catalysts, which have a permanent ferroelectric property as a cathode, an photocatalyst with pure niobate and tantalate of lithium, and series of ferroelectric non stoichiometric solid solutions containnig magnesiumm, copper or tungsten into the matrice Li(Ta/Nb)O3, all those materials were synthesized, identified and characterized. The electrocatalysis tests were achieved with/without the artificial solar light. The electrocatalysis tests were achieved with/without the artificial solar light in the treatment of wastewater from a parafin oil plant. The results of the electrochemical yields and COD abatements, for the different types of photocatalysts as cathode in microbial fuel cells, are summarized in the table below. Material Density of power OCV (mV Maximum reduction (mW/m3) in COD (%) LiNbO3 115.62 400 84 LiTaO3 60.4 349 59 Li1-xTa1-x WxO3 x=0.10 107.2 316 79 x=0.20 85.0 543 67 x=0.25 94.5 466 68 Li0.95Ta0.76Nb0.19Cu0.15O3 120 485 93 Li0.95Ta0.76Nb0.19Mg0.15O3 141 470 95 Keywords :MFCs; Wastewater Treatment, Li(Ta/Nb)O3,ferroelectric, solid-solution, Photocatalytic, Photocathode, Density of power, OCV, COD.

A..107
17:45
Authors : Saeedeh Soleimani
Affiliations : Hungarian Academy of science, Institute of technical physics and material science Budapest University of technology and economics

Resume : In this work, characterization of piezoelectric material lead zirconium titanite, Pb(Zr 0.53 Ti 0.47)O3 with abbreviated PZT is presented. The fabrication and properties of the PZT thin film are discussed. The sol-gel method is used as a deposition method which the parameters of spin-coating and thermal annealing are kept in same conditions and baking temperature are changing. Piezo-coefficient, micro-structure and crystal characterization of different layer thickness and temperature are discussed. The deposition is done with varied baking temperatures, i.e., 150 °C, 200 °C, 250 °C, 300 °C, 350 °C and 400 °C. The baking temperature has effect on cracks, orientation, electrical properties of PZT layers. The piezo-properties is quantifying using piezo force microscopy. Furthermore, the crystal characterization and micro-structure characterization are determined using X-ray diffraction and scanning electron microscopy. Finally, piezo- coefficients are determined using Piezo-tester. This fabrication and characterization of works are done in Institute of technical physics and material science in Energy center in Hungarian Academy of science. References [1] Carine Livage, Ahmad Safari and Lisa Clein, ‘’ Glycol-Based Sol-Gel Process for the Fabrication of Ferroelectric PZT Thin Films’’ Journal of Sol-Gel science and technology, 2, 605-609 (1994). [2] A. Shoghia, A. Shakeria, H. Abdizadeha,b, M. R. Golobostanfarda, ’’ Synthesis of Crack-Free PZT Thin Films by Sol-gel Processing on Glass Substrate’’, Procedia Material Science 11 (2015) 386-390. [3] Andrey E. Dolbak1, Ruslan A. Zhachuk1, Boris Z. Olshanetsky, ’’ Surface diffusion of Pb on clean Si surfaces’’ , Central European Science Journal, CEJP 2(2) 2004 254-265.

A..108
17:45
Authors : R. López –Mayo, J. Ledesma-García, M.P. Gurrola, L. G. Arriaga*
Affiliations : Centro de Investigación y Desarrollo Tecnológico en Electroquímica, 76703, Querétaro, Mexico. ; División de Investigación y Posgrado, Facultad de Ingeniería, Universidad Autónoma de Querétaro, 76010, Mexico.

Resume : Energy harvesters from the human motion can produce continuous energy for portable electronics and medical implants. For microelectromechanical systems (MEMS), piezoelectric transducers are the most commonly used due their coupling and microscale efficiency. However, current research focuses on rigid systems (many non-biocompatible) that seek an application in the human body, so it has an advantage to develop devices with these characteristics. The challenges for the development of this technology are the selection of materials with flexibility, mechanical stability and a good structural design that allows the general bending of the device. In the conventional design of flexible energy harvesters, the main obstacle is the coupling of the flexible piezoelectric material with an electrode that does not restrict the mechanical characteristics of the material. For this reason, an electrode based on a flexible polymer has been developed: polydimethylsiloxane (PDMS) by coupling carbon nanofibers (CNF) in its matrix to improve its electrical performance. The main drawback is the total coverage of the nanofiber with PDMS, which significantly reduces its conductivity. Thus, an experimental design based on the penetration of CNF in the PDMS assisted by a 5: 1 solution of total polymer solvent (Toluene) with a well-known disperser of CNF (Ethanol) was performed. Two maximum points of conductivity were found; at 30% concentration (1182.5 Sm-1) on only one side of the film and at 70% toluene on both sides (858.14 Sm-1). It is probable that this decrease is due to the total incorporation of the nanofibers in the nonconducting substrate, thus decreasing their conductivity.

A..109
17:45
Authors : M. FILIPESCU (1), N.D. SCARISOREANU (1), A. ANDREI (1), V. ION (1), M. DINESCU (1), V. TEODORESCU (2)
Affiliations : 1) National Institute for Laser, Plasma and Radiation Physics, 409 Atomistilor St, RO-077125, Magurele, Romania; 2) National Institute of Materials Physics, Magurele, Romania

Resume : Nowadays, the finding new ways for green energy production or the environment cleaning from pollutants are important imposed research lines. Due to exhibited photo-catalytic activity, promising materials such as tungsten oxide (WO3) and tungsten oxynitride (WON) can be considered. In this work we present the optical and water splitting functional properties of WO3 and WON thin films obtained by laser ablation. By replacing (partial or integral) the oxygen ions in the metallic oxide crystal lattice with the nitrogen ions, the optical absorption in the visible range of wavelength will increase, leading to an increased efficiency of the photo-catalytic activity. The influence of the substrate temperature and gas pressure on the thin films properties was investigated by Atomic Force Microscopy, X-Ray Diffraction, Scanning Electron Microscopy and Secondary Ion Mass Spectrometry techniques. The optical absorption of thin films was evidenced by spectroscopic ellipsometry in the 250-1700 nm range of wavelengths. The photo-electrochemical (PEC) measurements performed on the obtained thin films have been carried out in order to confirm the optical behaviour. Acknowledgements This work was supported by the National Authority for Research and Innovation in the frame of Nucleus Program and grant of the Romanian Ministry of Research and Innovation, CCCDI – UEFISCDI, project number PN-III-P1-1.2-PCCDI-2017-0755 (project 3), within PNCDI III.

A..110
17:45
Authors : Kuan-Zong Fung [1,2], Bernard Haochih Liu[1], Shu-Yi Tsai [1,2], Jhih-Yu Tang [1], Jarosław Milewski [3], Tomasz Wejrzanowski [4]
Affiliations : 1. Department of Materials Science and Engineering, National Cheng Kung University, 70101 Tainan, TAIWAN 2. Hierarchical Green-Energy Materials Research Center, National Cheng Kung University, 70101 Tainan, TAIWAN 3. Institute of Heat Engineering, Faculty of Power and Aeronautical Engineering, Warsaw University of Technology, 00-665 Warsaw, POL AND 4. Faculty of Material Science Engineering, Warsaw University of Technology, 00-665 Warsaw, POLAND

Resume : Electrolytes based on a dual-phase oxygen ion conductors and carbonates have received great attention for high-temperature fuel cell application. For instance, enhanced conduction was observed when the oxygen ion conductor, doped ceria was directly mixed with Li/K carbonates. It is expected the electrical conduction of composite electrolyte is contributed by the migration of oxygen ions in solid state and carbonate ions in liquid state. It was observed that the dual-phase electrolytes exhibit coionic (O=/H+) conductors during fuel cell operation under the H2/ air atmosphere. It is expected that highly mobile ions at the interface between doped ceria and carbonates may further contribute to the high conductivity of the composite electrolyte. In other words, the super-ionic phase might exist at the interface between doped ceria and carbonates, where the defect concentrations are high. In this study, the electrical conduction of composite electrolytes with various types of microstructures were evaluated at temperatures ranging from 300℃to 700℃. The composite samples were first prepared by direct mixing of doped ceria and carbonate powders. For 2nd microstructure design, the carbonates were infiltrated into porous ceria substrates at 600℃. SEM, XRD, and Electrochemical Impedance Spectroscopy were employed to conduct microstructural, structural and impedance analyses. The electrical conduction behavior of composite electrolytes will be rationalized based on the pore size, pore distribution and interface area.

A..111
17:45
Authors : Kuan-Zong Fung [1,2], Shu-Yi Tsai [1,2], Ta Te Cheng [3], Shiang-Yi Lo [3],
Affiliations : 1.Department of Materials Science and Engineering, National Cheng Kung University, Tainan, TAIWAN 2.Hierarchical Green-Energy Materials Research Center, National Cheng Kung University, 70101 Tainan, TAIWAN 3.Research Center for Energy Technology and Strategy (RCETS), National Cheng Kung University, Tainan, TAIWAN

Resume : The oxyfuel technology uses pure oxygen as an oxidant to combust fossil. Thus, the composition of flue gas primarily consist of CO2 and H2O without the presence of nitrogen. It is then possible to achieving almost complete CO2 capture. Since a cost-effective process for oxygen generation is needed for oxyfuel application, the ceramic oxygen transport membrane (OTMs) is found to be a promising technology that provide pure oxygen with lowest energy consumption. Oxygen transport membrane (OTM) is based on a gas-tight mixed ionic-electronic conductors(MIECs) membrane that only allow oxygen diffusion via oxygen vacancies in the anion sublattice with near 100% selectivity. A ceramic complex oxide, Ba0.5Sr0.5Co0.8Fe0.2O3-δ(BSCF) is found to exhibit adequate oxygen permeation due to its unique mixed ionic and electronic conduction in a perovskite type structure. To obtain a high flux of oxygen transport, a cell design with optimized microstructure is very important. The design principles include a thin (<30 um) dense layer, one catalytic layer on the top and one porous substrate on the bottom (<1000 um). In this study, the OTMs based on Ba0.5Sr0.5Co0.8Fe0.2O3-δ(BSCF) are fabricated with typical slip-casting and tape-casting processes. The objective of this work is to investigate the effect of (1) thickness of dense layer, (2) thickness of catalytic layer, and (3) thickness/porosity of support layer on the oxygen permeation of asymmetric BSCF OTM membranes. The mechanism of the oxygen transport and the surface exchange behavior are also discussed. XRD, conductivity measurement and oxygen permeation tests are conducted to evaluate the performance of BSCF OTM membranes.

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14:00
Authors : Zhong Lin Wang
Affiliations : School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia USA Beijing Institute of Nanoenergy and Nanosystems, Chinese Academy of Sciences, Beijing, China.

Resume : Self-powered system is a system that can sustainably operate without an external power supply for sensing, detection, data processing and data transmission. Nanogenerators (NG) were first developed for self-powered systems based on piezoelectric effect and triboelectrification effect for converting tiny mechanical energy into electricity, which have applications in internet of things, environmental/infrastructural monitoring, medical science, environmental science and security. Here, we first present the fundamental theory of the NGs starting from the Maxwell equations. In the Maxwell’s displacement current proposed in 1861, the term E ∂E/∂t gives the birth of electromagnetic wave, which is the foundation of wireless communication, radar and later the information technology. Our study indicates that, owing to the presence of surface polarization charges present on the surfaces of the dielectric media in NG, an additional term (∂P_s)/∂t should be added in the Maxwell’s displacement current, which is the output electric current of the NG. Therefore, our NGs are the applications of Maxwell’s displacement current in energy and sensors. NGs have three major application fields: micro/nano-power source, self-powered sensors and blue energy. We will present the applications of the NGs for harvesting all kind mechanical energy that is available but wasted in our daily life, such as human motion, walking, vibration, mechanical triggering, rotating tire, wind, flowing water and more. Then, we will illustrate the networks based on triboelectric NGs for harvesting ocean water wave energy, for exploring its possibility as a sustainable large-scale power supply. Lastly, we will show that NGs as self-powered sensors for actively detecting the static and dynamic processes arising from mechanical agitation using the voltage and current output signals. [1] Z.L. Wang, Materials Today, 20 (2017) 74-82. [2] “Nanogenerators for Self-Powered Devices and Systems”, by Z.L. Wang, published by Georgia Institute of Technology (first book for free online down load): http://smartech.gatech.edu/handle/1853/39262 [3] Z.L. Wang, L. Lin, J. Chen. S.M. Niu, Y.L. Zi “Triboelectric Nanogenerators”, Springer, 2016. http://www.springer.com/us/book/9783319400389 [4] Z.L. Wang “Triboelectric Nanogenerators as New Energy Technology for Self-Powered Systems and as Active Mechanical and Chemical Sensors”, ACS Nano 7 (2013) 9533-9557. [5] Z.L. Wang, J. Chen, L. Lin “Progress in triboelectric nanogenerators as new energy technology and self-powered sensors”, Energy & Environmental Sci, 8 (2015) 2250-2282.

A..113
14:30
Authors : Craig A. J. Fisher,1 Shunsuke Kobayashi,1 Akihide Kuwabara,1 Yumi H. Ikuhara,1 Yoshio Ukyo,1 Yuichi Ikuhara1,2
Affiliations : 1 Nanostructures Research Laboratory, Japan Fine Ceramics Center, 2-4-1 Mutsuno, Atsuta-ku, Nagoya 456-8587, Japan. 2 Institute of Engineering Innovation, The University of Tokyo, Bunkyo, Tokyo 113-8656, Japan.

Resume : Interfaces such as surfaces and grain boundaries have a strong effect on the electrical and physicochemical properties of lithium-ion battery (LIB) materials, especially when the particles or grains are nano-sized. Because interfaces typically contain larger concentrations of defects, they can exhibit very different ion migration energetics, structural stabilities, and electronic conductivities to the matrix or bulk material. Knowledge of the types of interfaces and their properties is thus vital for designing advanced LIB materials, and atomic-level computer simulation combined with atomic-resolution scanning transmission electron microscopy provides a powerful tool for gaining fresh insights. In this presentation, a number of recent examples will be given of computer modeling and electron microscopy studies of surfaces and phase boundaries in olivine-type cathode materials LiMPO4 (M = Mn, Fe, Co, Ni) before and after delithiation [1-3]. Particular focus will be placed on the effect of interfaces on defect formation and Li-ion transport. [1] S. Kobayashi, C. A. J. Fisher, T. Kato, Y. Ukyo, T. Hirayama and Y. Ikuhara, Nano Lett., 16 (2016) 5409–5414. [2] Y. H. Ikuhara, X. Gao, C. A. J. Fisher, A. Kuwabara, H. Moriwake, K. Kohama and Y. Ikuhara, J. Mater. Chem. A, 5 (2017) 9329-9338. [3] S. Kobayashi, A. Kuwabara, C. A. J. Fisher, Y. Ukyo and Y. Ikuhara, Nat. Commun. (in press) . Acknowledgment: This work was supported by the Research & Development Initiative for Scientific Innovation of New Generation Batteries II (RISING II) project of NEDO, Japan.

A..114
15:00
Authors : Preeti Bhauriyal, Biswarup Pathak
Affiliations : Discipline of Chemistry, Indian Institute of Technology Indore, Indore, India

Resume : Recent progresses in the field of rechargeable ion batteries have given directions to look for alternative batteries and electrode materials that can lead toward the enhancement of battery performance. Recently an ultrafast rechargeable Al-ion battery has been reported (Nature 520, 324−328, 2015) with high charge/discharge rate, high voltage and high capacity that use a graphite-based cathode. Identifying a suitable electrode material with desirable electrochemical properties remains a primary challenge for any rechargeable ion batteries. Using the first-principles calculations, we have investigated the AlCl4 intercalation mechanism into various carbon-based cathode electrodes and their ultrafast charging/discharging rate to understand the whole process. Ab initio molecular dynamics simulations have been performed to gain further insights in the AlCl4 intercalated structures. We show here that designing of electrode materials can be very promising to improve the performance of such Al-anion based batteries.1-4 References: 1. P. Bhauriyal, A. Mahata, B. Pathak, Phys. Chem. Chem. Phys 19 (2017) 7980. 2. P. Bhauriyal, A. Mahata, B. Pathak, J. Phys. Chem. C 121 (2017) 9748. 3. P. Bhauriyal, A. Mahata, B. Pathak, Chemistry An Asian Journal 12 (2017) 1944. 4. P. Bhauriyal, P. Garg, M. Patel, B. Pathak, Journal of Materials Chemistry A 10.1039/C8TA01820K (2018).

A..115
16:00
Authors : P.E. de Jongh
Affiliations : Inorganic Chemistry and Catalyis, Debye Institute for Nanomaterials Science, Utrecht University, Utrecht, The Netherlands

Resume : Cu2O is a low-cost and abundant semiconductor with a bandgap of 2.2 eV. It has so far assumed that direct photocatalytic watersplitting using Cu2O could not be achieved, due to its instability under illumination in aqueous solutions and the band edge position of the valence band being too high to supply sufficient overpotential for the oxygen evolution reaction. We report on the assembly of SiO2 supported 21 nm Cu2O photoactive nanoparticles with a Pt cocatalyst The silica support allows to prepare Cu2O nanoparticles with controlled and tunable size, and increases their stability under photocatalytic conditions. Reducing the size of the Cu¬2O crystallites shifts the onset of light absorption to higher energies. 2 nm Pt particles in direct contact with the Cu2O crystallites were photodeposited. Pt-Cu2O@SiO2 was able to constantly generate H2 and O2 in a 2:1 ratio under white light illumination from water without any sacrificial agents. A hydrogen evolution rate of 0.85 μmol/h and an oxygen evolution rate of 0.40 μmol/h were obtained with a corresponding internal quantum efficiency of 1.95%. Less than 20% loss of activity was observed during more than 500 hours on stream, corresponding to a turn-over-number of 11. As far as we are aware this is the first time that stable direct water splitting without sacrifial agents has been reported for Cu2O. Furthermore we provide some strategies, such as particle size tuning and stabilization by anchoring onto a non-visible light absorbing support, which are of general relevance also for other photocatalytics systems.

A..116
16:30
Authors : Michael Nolan
Affiliations : Tyndall National Institute, University College Cork, Cork, Ireland

Resume : Increasing energy demand is leading to fossil fuel supply issues and ever-increasing CO2 emissions, which are now past 400 ppm and are projected to result in a 2 degree C rise in average global temperatures. Given these severe societal problems, there is an urgent need to find materials that can convert the CO2 produced by combustion of fossil fuels back to fuels or to the precursors for production of more useful chemicals. The solar driven photo- or thermal reduction of CO2 to CO (for synthesis gas) or directly to liquid fuels will enable a sustainable approach to producing fuels and storing solar energy in high energy chemical bonds. One successful material for CO2 activation has been based on metallic Cu, oxide-derived Cu or Cu with mixed oxidation states. These have been demonstrated to reduce CO2 to useful molecules such as methane, methanol or ethanol. Recent experimental work indicates the ability of nanocatalysts containing a mix of Cu+ and Cu2+ oxidation states and in oxide-like structures to drive CO2 reduction. In addition, materials containing bismuth and bismuth-oxygen species can promote adsorption and conversion of CO2. This contribution describes our work on using first principles simulations to discover new catalysts that can activate CO2; these are based on modifying TiO2 (rutile and anatase) with metal oxide nanoclusters. This covers a range of oxide modifiers that includes bismuth oxide, off-stoichiometric Cu-oxides, Cr2O3 for CO2 activation and alkaline earth oxide-modified TiO2 for CO2 capture.

A..117
17:00
Authors : Luca Pasquini (1), Giacomo Rossi (1), Daniele Catone (2), Alberto Piccioni (1), Nicola Patelli (1), Alessandra Paladini (3), Alessandra Molinari (4), Stefano Caramori (4), Patrick O’ Keeffe (3), Federico Boscherini (1)
Affiliations : 1 - Department of Physics and Astronomy, Alma Mater Studiorum Università di Bologna, V. C. Berti-Pichat 6/2, 40127 Bologna, Italy 2 - CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), Area della Ricerca di Roma Tor Vergata, Via del Fosso del Cavaliere 100, Rome, Italy 3 - CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), Area della Ricerca di Roma 1, Monterotondo Scalo, Italy 4 – Department of Chemical and Pharmaceutical Sciences, University of Ferrara, Via Luigi Borsari 46, 44121 Ferrara, Italy

Resume : A widely investigated strategy to shift the optical absorption of TiO2 towards the visible region is doping with ionic species. In this work, vanadium-doped TiO2 nanoparticles (V-TiO2 NPs) with a V/Ti ratio of 3.0 at. % were prepared by gas-phase condensation and subsequent oxidation at elevated temperature. Both photocatalytic activity for -NO2 reduction and photoelectrochemical water splitting were induced by V-doping in the visible spectral range lambda> 450 nm, where undoped TiO2 NPs are completely inactive. The photocatalytic properties were correlated with the ultrafast dynamics of the photoexcited charge carriers studied by femtosecond transient absorption (TA) spectroscopy with three different excitation wavelengths of 330, 400, and 530 nm. Only in V-doped NPs, the photoexcitation of electrons into the conduction band by sub-bandgap irradiation (lambda = 530 nm) was detected by TA spectroscopy. This observation was associated with electronic transitions from an intra-gap level localized on V4+ cations. The photoexcited electrons subsequently relaxed, with characteristic times of 200-500 ps depending on excitation wavelength, into Ti-related surface traps that possessed suitable energy to promote -NO2 reduction. The photoexcited holes migrated to long-lived surface traps with sufficient overpotential for the oxidization of both 2-propanol and water. On the basis of TA spectroscopy and photocurrent measurements, the position of the dopant-induced intra-gap level was estimated as 2.2 eV below the conduction band minimum.

A..118
17:15
Authors : Zineb Kerrami, Anass Sibari, Omar Mounkachi, Abdelilah Benyoussef, Mohammed Benaissa
Affiliations : LaMCScI, Faculty of Sciences P.B. 1014, Mohammed V University Rabat, Morocco; Materials and Nanomaterials Centre, Moroccan Foundation for Advanced Science; Innovationand Research, MAScIR, Rabat, Morocco; Hassan II Academy of Science and Technology Rabat, Morocco

Resume : In the present study, the potential of SnO2 thin-film for hydrogen production through water splitting was predicted using first principles calculation. First, SnO2 thin-films from 0,3 nm to 2.5 nm in thickness were designed, increasing band gap as the thickness of the film decreases revealed a strong quantum confinement effect. Furthermore, a chosen thin-film of 2.5 nm was considered to examine the effect of biaxial strain on SnO2 properties. Tensile strain improves the absorption capability towards visible-light absorption (around 400 nm), increases its mobility which is a positive factor for photocatalysis, and finally improves the redox potential level of H+/H2 with respect to the conduction band minimum. All these improvements make tensile strained-SnO2 a promising photocatalyst for hydrogen production.

A..119
17:30
Authors : Dr. Narendar Nasani1,2, Dr. B.B. Kale1, Dr. N.R. Munirathnam1 and Dr. Duncan P. Fagg2
Affiliations : 1 Centre for Materials for Electronics Technology (C-MET), Pune, 411008, India. 2 Nanoengineering Research Group - Centre for Mechanical Technology and Automation (TEMA), Department of Mechanical Engineering, University of Aveiro, 3810-193 Aveiro, Portugal. Email: narendar.nasani@cmet.gov.in or n6nitt@gmail.com

Resume : Protonic Ceramic fuel cells (PCFCs) offer a low-pollution technology to generate electricity electrochemically with high efficiency when compared to that of internal combustion engines [1]. PCFCs also offer the advantage of keeping the fuel electrode (anode) remains pure, while forming the water at the air electrode (cathode) side. In order to achieve desired power output thin electrolyte membranes are preferred, to reduce the ohmic losses during the fuel cell cycling [2], with the most common electrolyte materials being alkaline earth doped cerates, zirconates and their solid solutions, due to their high protonic conductivity and low activation energy (0.4 eV). However, the chemical instability of BaCeO3 materials in acidic atmospheres and the high sintering temperature and resistive grain boundaries of BaZrO3 are the main difficulties currently limiting their wide spread use [3]. As a compromise, the composition 40% Zr substituted Ba (Ce, Y) O3-δ, lying in the solid solution between the zirconate and cerate materials, has been received great attention due to improved chemical stability of the cerate, while maintaining high total protonic conductivity[4][5]. In the present work, button cell type anode (Ni-BaCe(1-x)Zr(x-y)Y(1-x-y)O3-δ) supported thin electrolyte membrane (~6µm thickness) protonic ceramic fuel cells were developed by a simple spin coating method. A suspension-based route was used to deposit the electrolyte. Highly dense electrolyte membrane of BZY was also obtained by using sintering additive NiO (1wt%) at 1400 °C. The conductivity of BZY as a function of temperature under humid conditions was also measured and found to be 10-3 S/cm at 500 °C using electrochemical impedance spectroscopy (EIS). The size of final PCFC cell is varied from 10-30 mm button type. The phase pure materials were synthesized by newly developed acetate combustion method and mechanochemical process. The overall performance of the PCFC cell was also tested in H2 as fuel and air as oxidant. The results area specific resistance (ASR), degradation phenomenon and overall performance (I-V-P) of the PCFC cell will be discussed in detail. Keywords: Protonic ceramic fuel cell; Proton conductors; Ni Anode Acknowledgements The authors gratefully acknowledge funding from the FCT, POPH, PTDC/CTM/100412/2008, FCT Investigator Programme, PTDC/CTM-ENE/6319/2014, QREN, FEDER, COMPETE Portugal, the European Social Fund, European Union and C-MET, MeitY, Govt. of India. References. 1. W.G. Coors, J. Power Sources, 2014, 118, 150–156. 2. E.D. Wachsman, K.T. Lee, Science, 2011, 334, 935. 3. E. Fabbri, D. Pergolesi, E. Traversa, Chem. Soc. Rev., 2010, 39, 4355. 4. L. Bi, E. Fabbri, E. Traversa, Electrochem. Commun, 2012, 16, 37. 5. N. Narendar, P.A.N. Dias, J.A. Saraiva, D.P. Fagg, Int. J. Hydrogen Energy, 2013, 38, 8461.

A..120
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08:15
Authors : Keita Sekizawa, Shunsuke Sato, Takeo Arai, Takeshi Morikawa
Affiliations : Toyota Central R&D Laboratories, Inc.

Resume : To achieve a practical CO2 reduction system aimed at artificial photosynthesis, a hybrid system composed of a metal complex catalyst and a semiconductor photosensitizer has become a feasible approach, and the conversion efficiencies of such systems have been improving. However, there is still little research focusing on material cost and operation in water. Then we focus on a p-type Fe2O3 as a photocathode for the CO2 reduction reaction. Although it is widely recognized that iron is an abundant element, there are two issues with p-type Fe2O3 in that the charge separation property is inefficient and it easily corroded due to the self-reduction reaction under the reducing conditions in the CO2 saturated aqueous electrolyte. To overcome the issues, we have developed a more active p-type Fe2O3 that is co-doped with N and Zn (N,Zn-Fe2O3), and constructed a TiO2/N,Zn-Fe2O3/Cr2O3 multi-heterojunction photocathode. To optimize the most effective combination with a Ru-complex catalyst, a Ru complex polymer with a low CO2 reduction potential and an electron network with polypyrrole chains was determined to be the best combination with TiO2/N,Zn-Fe2O3/Cr2O3[1]. We have successfully accomplished stable CO2 reduction reaction with p-type Fe2O3 in water, and demonstrated solar CO2 reduction reaction coupled with H2O oxidation in the absence of an external electrical bias by constructing a tandem cell reactor with a SrTiO3 photoanode. [1] Sekizawa, K. et al., ACS Catal. 2018, 8, 1405.

A..6
08:30
Authors : Aleksey Yaremchenko, Blanca I. Arias-Serrano, Kiryl Zakharchuk, Jorge Frade
Affiliations : CICECO – Aveiro Institute of Materials, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, Portugal

Resume : While K2NiF4-type La2NiO4 δ and its derivatives attract significant attention as prospective cathode materials for intermediate-temperature solid oxide fuel cells, a perovskite-like counterpart, LaNiO3-δ, has not been considered for these applications, mostly due to the limited phase stability under ambient oxygen pressures. On heating in air, it decomposes at ~1000°C; cathodic polarization can be expected to induce the decomposition of perovskite phase at even lower temperatures characteristic for IT-SOFC operation. On the contrary, redox changes imposed by anodic polarization under oxidizing conditions should not be of risk for the phase stability of LaNiO3-δ. The present work aimed to explore LaNiO3-δ as potential oxygen electrode material for solid oxide electrolysis cells. LaNiO3-δ ceramic powder with rhombohedrally-distorted perovskite-like structure was prepared by glycine-nitrate combustion synthesis followed by calcinations in oxygen atmosphere at 800-1000°C. Porous LaNiO3-δ samples (sintered in O2 at 1050°C, relative density 55-58%) exhibited p-type metallic-like electrical conductivity, 400-500 S/cm at 800-600°C, and a moderate thermal expansion, with average CTE ~13.0 ppm/K at 25-800°C. Porous LaNiO3-δ electrodes were applied onto different solid electrolytes, including (ZrO2)0.92(Y2O3)0.08 (8YSZ), Ce0.9Gd0.1O2-δ (CGO10), and (La0.8Sr0.2)0.98Ga0.8Mg0.2O3-δ (LSGM), and sintered at 1050°C for 2h under oxygen flow. The studies of symmetrical cells by EIS demonstrated that the electrochemical activity of LaNiO3-δ electrodes increases in the sequence 8YSZ < CGO10 < LSGM; the corresponding values of electrode polarization resistance (Rη) at 800°C were 1.4, 0.8 and 0.25 Ohm×cm2, respectively. Significant variations of Rη with electrolyte composition correlate with the extent of chemical reactivity between LaNiO3-δ and electrolyte materials during the electrode fabrication. The Rη values of LaNiO3-δ electrodes in contact with LSGM electrolyte can be further reduced down to 0.03 Ohm×cm2 at 800°C and 0.11 Ohm×cm2 at 700°C by the surface modification with PrOx. The performance of LaNiO3-δ-based electrode layers on LSGM electrolyte under steady-state anodic polarization was evaluated using 3-electrode cell configuration at 600-800°C. Acknowledgement: This work was supported by the FCT, Portugal (projects IF/01072/2013/CP1162/CT0001, PTDC/CTM-ENE/2942/2014, and project CICECO-Aveiro Institute of Materials POCI-01-0145-FEDER-007679 (FCT ref. UID/CTM/50011/2013)).

A..121
08:45
Authors : Pedram Ghamgosar, Federica Rigoni, Mojtaba Gilzad Kohan, Shujie You, Edgar Abarca Morales, Isabella Concina, Alberto Vomiero
Affiliations : Luleå University of Technology

Resume : Low-dimensional nanostructures, targeting low cost and high performance devices, have a great potential to be used in optoelectronic devices like photodetectors (PD) and solar cells. PDs based on semiconductor nanostructures are promising candidates for optoelectronic devices due to their fast response to the light. In this study, we propose a new p-n junction nanostructure, based on ZnO/Co3O4 core-shell system. ZnO has a large exciton binding energy (60 meV) and can be easily grown in form of single crystal nanowires (NWs) on conducting glass by hydrothermal synthesis. The suitable energy gap of Co3O4 and its electronic band structure in terms of positioning of conduction and valence bands with respect to vacuum, matches very well the position of ZnO conduction band to build-up an efficient p-n heterojunction. ZnO/Co3O4 core-sell structure with various Co3O4 thicknesses (in the range 1-15 nm) was prepared by sputter depositing Co3O4 film on ZnO NW arrays. We investigated the electrical behavior of the junctions as a function of Co3O4 film thickness and in presence of a thin Al2O3 passivating layer, which may inhibit charge recombination, boosting device performance. The photoresponse of the ZnO/Co3O4 at zero bias is less than 1s, much faster compared to the bare ZnO, demonstrating the effectiveness of the p-n NW structure in boosting the functional properties of the photodetector.

A..122
09:00
Authors : Mariko Matsunaga
Affiliations : Chuo University, Japan

Resume : As also discussed in my talk at the E-MRS 2017 fall meeting, various carbon electrodes and their composites have been recently investigated for electrochemical energy devices, such as lithium ion batteries, fuel cells, capacitors, dye-sensitized solar cells. Among them, the films of nano-carbons of graphene structures, including carbon nanotube, graphite, carbon nanohorn, are often used as components because of their good electrochemical activity, chemical stability, and strong mechanical strength. In our studies, various nano-carbon composite films were prepared in a beaker cell using electric power by using electrophoretical and/or electrochemical depositions depending on the application. In this presentation, our recent results about application of the nano-carbon composite films to photo catalysis for the water splitting reaction will be mainly introduced.

A..123
09:30
Authors : Michael Sachs,1 Reiner Sebastian Sprick,2 Drew Pearce,3 Sam J. Hillman,3 Adriano Monti,4 Anne A. Y. Guilbert,3 Nick J. Brownbill,2 Stoichko Dimitrov,1 Frédéric Blanc,2 Martijn A. Zwijnenburg,4 Dave J. Adams,2 Jenny Nelson,3 James R. Durrant,1 and Andrew I. Cooper2
Affiliations : 1 Department of Chemistry and Centre for Plastic Electronics, Imperial College London, U.K. 2 Department of Chemistry and Materials Innovation Factory, University of Liverpool, U.K. 3 Department of Physics and Centre for Plastic Electronics, Imperial College London, U.K. 4 Department of Chemistry, University College London, U.K.

Resume : The production of hydrogen from water is regarded as one of the most promising approaches to remedy the intermittency of sunlight by storing solar energy as a chemical fuel. While the field of sunlight-driven fuel generation has traditionally been dominated by inorganic materials, organic photocatalysts are currently gaining substantial momentum - particularly due to their much higher synthetic flexibility. For instance, their optical band gap can be tuned continuously throughout large parts of the solar spectrum by copolymerisation of suitable monomers in defined ratios.[1] This tunability has sparked intense research interest in organic photocatalysts,[2,3] however, the fundamental understanding of photoinduced processes in these materials has stayed behind the rapid development of new and more efficient materials. Some parallels can be drawn to fields such as organic photovoltaics where comparable materials are used, but especially the aqueous environment makes polymer photocatalysts distinct from other applications. Structurally similar polymers can exhibit very different degrees of hydrogen evolution activity[4] and the response of polymer photocatalysts to photoexcitation therefore requires further investigation to understand what dictates their performance. The combined study presented here is the first in-depth investigation of hydrogen evolution activity of linear conjugated polymers and combines materials development with spectroscopic characterisation and computational modelling. We investigate a series of polymers with strikingly different hydrogen evolution activity, including some of the highest performing photocatalysts reported to date in this class of materials. A comparison to structurally related polymers with significantly lower activity allows us to identify the key determinants of hydrogen evolution activity in this series. To this end, we use transient absorption spectroscopy to monitor photogenerated reaction intermediates on time sales of femtoseconds to seconds after light absorption and correlate the type and yield of observed intermediates with the hydrogen evolution activity of the respective polymer. Computational simulations and calculations build on this transient data and extend the observations to the role of the solvent environment in the photoinduced reaction sequence. The presented results can provide design strategies for new materials and thus have implications for the development of more efficient organic photocatalysts. References [1] Sprick, R. S.; Jiang, J.-X.; Bonillo, B.; Ren, S.; Ratvijitvech, T.; Guiglion, P.; Zwijnenburg, M. A.; Adams, D. J.; Cooper, A. I. J. Am. Chem. Soc. 2015, 137 (9), 3265–3270. [2] Zhang, G.; Lan, Z.-A.; Wang, X. Angew. Chemie Int. Ed. 2016, 55 (51), 15712–15727. [3] Vyas, V. S.; Lau, V. W.; Lotsch, B. V. Chem. Mater. 2016, 28 (15), 5191–5204. [4] Sprick, R. S.; Bonillo, B.; Clowes, R.; Guiglion, P.; Brownbill, N. J.; Slater, B. J.; Blanc, F.; Zwijnenburg, M. A.; Adams, D. J.; Cooper, A. I. Angew. Chemie Int. Ed. 2016, 55 (5), 1792–1796.

A..124
09:45
Authors : Joe Briscoe [1], Yaqiong Wang [1], Steve Dunn [2], Haixue Yan [1]
Affiliations : [1] School of Engineering and Materials Science and Materials Research Institute, Queen Mary University of London, Mile End Road, London E1 4NS, United Kingdom; [2] Engineering and Technology, University of Hertfordshire, College Lane Campus, Hatfield, UK

Resume : Closely-related to BiFeO3 - of interest for photocatalytic applications due to its combination of visible bandgap (2.3-2.7 eV) with multiferroic properties - Bi2Fe4O9 has received little attention for photocatalysis, beyond a single report of degradation of organic pollutants [1]. Here we report the synthesis of Bi2Fe4O9 thin films via simple sol-gel deposition with, for the first time, photoelectrochemical (PEC) properties of the films demonstrating their suitability for use as photoanodes for solar water splitting. UV-Vis absorption show a highly suitable bandgap (2.1 eV) with strong absorption from 600 nm. Phase and composition are also confirmed using XRD and XPS. PEC measurements in the 0 V to 1.5 V range (vs Ag/AgCl) show almost twice the photocurrent compared to BiFeO3. This most likely results for the enhanced visible light absorption as a result of the reduced bandgap. Further insight is achieved by testing using a hole scavenger (H2O2), which leads to an increased photocurrent from 0.05 mA/cm2 to 0.1 mA/cm2 at 1.2 V (vs RHE), a shift in onset potential from 0.5 V to 0 V (vs Ag/AgCl), and the disappearance of positive/negative photocurrent transients upon light chopping. These results indicate that hole injection barriers leading to slow kinetics and surface recombination limit the photocatalytic performance of this material, thus combination with appropriate water oxidation catalysts may lead to further improved performance. [1] Yang et al. Sci. Rep. 2017, 7, 768.

A..125
10:00
Authors : Stephen Rhatigan, Michael Nolan
Affiliations : Tyndall National Institute, University College Cork

Resume : Surface modification of TiO2 with metal oxide nanoclusters is a strategy for the development of new photocatalyst materials. We have studied modification of TiO2 rutile (110) with ceria nanoclusters using density functional theory corrected for on-site Coulomb interactions (DFT+U). We focus on the impact of surface modification on key properties governing the performance of photocatalysts, including light absorption, photoexcited charge carrier separation, reducibility and surface reactivity. Our results show that adsorption of the CeO2 nanoclusters, with compositions Ce5O10 and Ce6O12, is favourable at the rutile (110) surface and that the nanocluster-surface composites favour non-stoichiometry in the adsorbed ceria so that reduced Ce ions will be present in the ground state. The presence of reduced Ce ions and low coordinated O sites in the nanocluster lead to the emergence of energy states in the energy gap of the TiO2 host, which potentially enhance the visible light response. We show, through an examination of oxygen vacancy formation, that the composite systems are reducible with moderate energy costs. Photoexcited electrons and holes localize on Ce and O sites of the supported nanoclusters. The interaction of CO2 and H2O is favourable at multiple sites of the reduced CeOx-TiO2 composite surfaces. CO2 adsorbs and activates, while H2O spontaneously dissociates at oxygen vacancy sites.

A..126
10:15
Authors : Sandeep Kumar and T. J. Dhilip Kumar
Affiliations : Department of Chemistry, Indian Institute of Technology Ropar Roopnagar, Punjab India, Pin- 140001

Resume : The need for sustainable energy fuel is much greater than before. Hydrogen is considered as an alternative green energy source due to its pollution free, and highly abundant in nature. The use of sustainable hydrogen fuel is impeded due to its low storage capacity in the storage medium. The newly designed metal-organic framework (MOF) is made up of carbyne linker, and in MOF each carbyne linker is decorated with 2 Li atoms opposite to the linker. Li binds with carbyne linker of MOF through Dewar coordination. Here, by means of density functional theory (DFT) employing the GGA-PBE functional with double numeric basis set, we have systematically investigated hydrogen storage properties such as structural stability, physicochemical properties, and charge transfer mechanism of Li decorated MOF, namely MOF-Li8. On saturation with hydrogen each Li atom adsorbs 4 H2 molecules in molecular form in the Li decorated MOF. The H2 and Li interact by Kubas-Niu mechanism with average H-H bond length elongated from bare H2 bond length of 0.741 Å, which indicate that all the adsorbed H2 molecules bind in quasi-molecular manner. Our findings revealed that the Li decorated MOF exhibits the high hydrogen storage capacity at ambient conditions with an adsorption and desorption energy ranges between 0.2 - 0.6 eV. The hydrogen storage capacity is found to be 7.9 wt. % for hydrogen saturated Li decorated MOF, and resulting structure is MOF-Li8-32H2. The finding opens a new avenue of the drastic increase in hydrogen storage capacity meets the ultimate U. S. DOE target 2020 which makes them sustainable hydrogen storage material.

A..127
11:00
Authors : Jeha Kim1*, Sung-Jun Kim1, Woo-Jung Lee2, Yong-Duck Chung2
Affiliations : 1 Department of Energy Convergence, Cheongju University, Cheongju 28403, South Korea 2 ICT Materials & Components Research Laboratory, ETRI, Daejeon 34129, South Korea

Resume : We investigated the role of hydrazine for the growth of Zinc Oxysulfide (Zn(O,S)) thin films both on soda-line glass and on Cu(In,Ga)Se2 (CIGS) surface using the chemical bath deposition (CBD) and studied its effectiveness of Zn(O,S) buffer in the CIGS solar cell fabrication. The Zn(O,S) films were prepared with an added complex agent of hydrazine as a function of its relative content rc with respect to ammonia as well as the deposition time td. There was a strong dependence on the substrate surface and found many pin holes as observed in SEM micrographs as rc and td varied. As the rc varied from 0 to 1.39, all the Zn(O,S) films with hydrazine showed nearly identical structural characteristics of crystallography, composition of [S/Zn] and direct energy bandgap of Eg = 3.65 eV but a strong dependence in light transmission with the deposition time td. Using Beer-Lambert law we concluded the enhancement of light transmission was related with the areal density of in-plane grains. In the CBD-Zn(O,S)/CIGS solar cell fabrication, the best solar cell performance was found η = 12.03%, Voc = 0.549 V, Jsc = 32.92 mA/cm2, FF = 66.7%. In this paper we report that the hydrazine played a role to expedite the in-plane grain growth by 6 times accompanied both with a reduction of in-plane grain size and a denser packing density. Acknowledgement: This research was supported by the Technology Development Program to Solve Climate Changes of the National Research Foundation (NRF) funded by the Ministry of Science, ICT & Future Planning (NRF-2016M1A2A2936759, NRF-2017M1A2A2087577).

A..128
11:45
Authors : Yu-Han Chang, Ludmilla Steier, James Durrant
Affiliations : Department of Chemistry, Imperial College London

Resume : Cu(In,Ga)Se2 (CIGSe) polycrystalline thin film solar cells have climbed the power conversion efficiency ladder from below 10% to record efficiencies today of 22.6%. A significant contribution to this efficiency boost comes from an engineered Ga-gradient profile in the bulk of the 2 µm thin CIGSe film along with an alkali atom post deposition treatment (PDT). There are several studies aimed at unravelling the effect of alkali atom incorporation in CIGSe solar cells. However, a clear picture on the influence of alkali treatment and Ga-gradient doping on the energetics in the solar cell is still not established. Here, we present a transient absorption spectroscopy study on such high-efficient devices shining light on the differences in carrier dynamics originating from varying PDTs. From our results, we can establish a model of the carrier dynamics in CIGSe solar cells. In the devices with PDTs, longer photoemission lifetimes and higher amplitudes are observed, that will improve charge collection yield at the interfaces. While the main contribution of Rb atoms might due to the electric shielding field it created, which drives the carriers move faster compared to the other two devices, and thus collected more carriers, which eventually contributed to a higher short circuit current.

A..129
12:00
Authors : Pramod Patil K, Jurriaan Huskens
Affiliations : Molecular NanoFabrication, MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE, Enschede, The Netherlands

Resume : To fabricate a fully integrated, efficient S2F device based on photo-electricity, a single or set of semiconductors must be combined with a proper electrocatalyst. Here we show a popular geometry for a S2F device which is based on micropillars arrays, to overcome the mismatch between the absorption depth of the photons and the diffusion length of the photo-generated electrons. We show the realization and stability of a micropillar Si/ITO/pn-Cu2O/AZO/TiO2/Pt stack. We compare this stack with a traditional planar Si/ITO/pn-Cu2O/AZO/TiO2/Pt stack and an introducing a radial p/n junction in the Si microwires enables maximum photovoltage of the Si substrate. By tapering the Si microwires, sputtering of ITO becomes feasible and therefore decouples the two a photo absorbers by introducing a transparent conductive oxide interlayer. Electrodeposition of Cu2O ensures a conformal layer over these high aspect structures. By tapering the Si microwires, the reflectivity is greatly reduced in the 300-600 nm range. We optimized each of the layer thicknesses by simulating different layer thicknesses over different geometries, to minimize the overall reflectivity and optimize the absorption. AZO aids in the charge separation and maximizes the photovoltage of the underlying pn-Cu2O photon absorber. Overall, a micropillar array ensures effective harvesting of photons and effective photocurrent collection, while also providing a large surface area for catalytic reactions and thus an increase in overall solar-to-fuel efficiency.

A..130
12:15
Authors : Agnieszka Chojnacka, François Béguin
Affiliations : Poznan University of Technology, Institute of Chemistry and Technical Electrochemistry ul. Berdychowo 4, 60-965 Poznan, Poland

Resume : The hybrid sodium-ion capacitor (NIC) combines excellent energy and power characteristics which allows the performance gap between Na-ion batteries and electrical double-layer capacitors to be filled [1-2]. However, designing high power and energy density systems with improved life span is still a huge challenge in the development of this technology. In this context, the present study discloses a novel hybrid NIC designed by implementing an electrical-double layer positive electrode based on activated carbon (AC) and a negative battery-type electrode consisting of Sn4P3 intermetallic compound mixed with hard carbon (HC) and doped with sodium. Sn4P3 has been obtained by facile high-energy mechanical ball milling in Ar atmosphere; afterwards, HC in appropriative mass ratio has been mixed together with Sn4P3. Sodium has then been inserted in the HC/Sn4P3 electrode by electrochemical reduction, using a Na metal disc as counter electrode. A full NIC cell has been assembled with a positive electrode based on AC, the sodium-doped HC/Sn4P3 composite and a Na metal pin serving as reference electrode to monitor the behavior of individual electrodes. The thereof designed NIC demonstrates an excellent life span and a high energy density of 55 Wh kg-1 at 650 mAg-1. The presented research shows potential for developing a next generation of low cost and safe high-power devices. The authors acknowledge the financial support of the HYCAP project by the Foundation for Polish Science (research grant TEAM TECH/2016-3/17). References: [1] H. Wang, C. Zhu, D. Chao, Q. Yan, H.J. Fan, Adv. Mat. 29 (2017) 1702093. [2] V. Aravindan, M. Ulaganathana, S. Madhavi, J. Mater. Chem. A 4 (2016) 7538.

A..131
12:30
Authors : A. Holder, W. Sun, C. Bartel, E. Arca, S. Bauers, S. Lany, A. Zakutayev and G. Ceder
Affiliations : University of Colorado Boulder and National Renewable Energy Laboratory; Lawrence Berkeley National Laboratory and Massachusetts Institute of Technology; University of Colorado Boulder; National Renewable Energy Laboratory; National Renewable Energy Laboratory; National Renewable Energy Laboratory; National Renewable Energy Laboratory; UC Berkeley and Lawrence Berkeley National Laboratory

Resume : Nitrides are a technologically important class of materials with champion functionality for numerous applications. However, despite this technological importance, nitrides are relatively underexplored. Fewer than 300 stoichiometric ternary nitride phases have been synthesized, in contrast to the more than 4,000 ternary oxides reported in the Inorganic Crystal Structure Database (ICSD), making nitrides a promising chemical space for novel materials discovery. Here, we employ an experimentally corroborated computational materials discovery approach to map and understand the stability landscape of the ternary nitrides, offering guiding insights for which compositions are fertile for ternary nitride design and discovery. We use statistically learned structure prediction methods integrated with high-throughput first principles computation to broadly survey stability and property relationships across the ternary metal nitride space, predicting 203 new stable ternary nitrides over 91 previously unknown M1-M2-N systems. We then use unsupervised machine-learning algorithms to cluster the underlying chemical families in this space, which we visualize in a map that highlights large-scale trends in the chemical reactivity and stability of nitrides. Detailed chemical analyses of the electronic structure calculations are performed to unravel the diverse bonding of nitrides and rationalize the propensity of different metals to form stable or metastable ternary nitrides. Finally, by mapping the uncharted regions in the space of ternary nitrides, we establish new fundamental chemical insights and synthesis by design principles of ternary materials.

A..132
12:45
Authors : Shanmugapriya PERIYANNAN1,2, Laura MANCERIU1, Pierre COLSON1, Andreas KLEIN2, Wolfram JAEGERMANN2, Catherine HENRIST1, Rudi CLOOTS1.
Affiliations : 1: GreenMat – University of Liege, Belgium 2: Surface Science – Technical University of Darmstadt, Germany.

Resume : TITLE - Surface characteristics of ZnO nanorods and their influence on heterostrcuture formation with NiO: electronic, photocatalytic and photo electro chemical studies Nanostructured semiconducting metal oxides are of general and fundamental interest for many technical applications, especially for catalysis/photocatalysis. Zinc Oxide is a promising and environment friendly material, which is of high interest as photocatalyst. Though it is equally investigated as photocatalytic material as TiO2, there is a lack of information with respect to ZnO surface characteristics modification due to exposure to ambient conditions, i.e the presence of hydroxyls, hydrides and surface oxygen content fluctuations with report to bulk. A detailed investigation on ZnO surface features is necessary to unravel the fundamental mechanisms that are governing the photocatalytic process, particularly when two material interfaces are interacting, i.e. in a heterostructure. Here, in our studies, we have grown the scaffold material; Zinc Oxide Nanorods (ZNR, as-is) on Flourine doped Tin-Oxide (FTO) substrates, by a two-step wet chemical method, to attain thin films with high surface area. In case of n-type semiconductors, in order to attain a good quality interface, the presence of vacancies should be reduced and the adsorbates should be removed prior to formation of the heterostructure. Hence, we have followed the approach of post processing method, to fill up oxygen vacancies and get rid of the adsorbates on the ZNR surface. The thin films were subjected to a thermal treatment (400 ⁰C) in presence of oxygen at high pressure (0.5 Pa and 5 Pa), which resulted in three ZNR surfaces (ZNR as-is, ZNR 0.5 Pa and ZNR 5 Pa) for comparison. The role of pressure involved during the thermal treatment was investigated to understand its influence on the formation of the heterostructure with Nickel Oxide (NiO). Heterostructure formation, by in-situ deposition of NiO was done at room temperature (RT) and RT + post annealing (PAd) at 250 ⁰C on all three ZNR surfaces. Electronic characterization by XPS showed that the Fermi level (FL) position of the as-deposited ZNR surface was above the conduction band (CB), but below CB for the heat-treated ZNR surface. In fact the depletion of electrons increased with increase in the pressure involved leading to an increase in the band bending of the scaffold material. XPS investigations on the heterostructures revealed that NiO interface with ZNR as-is was capable of obtaining band bending above 1 eV, whereas in the case of interfaces with ZNR 0.5 Pa and ZNR 5 Pa the band bending was lower, around 0.65 eV and 0.15 eV respectively. This clearly indicated that thermal treatment at 5 Pa resulted in the deterioration of band bending taking place at the interface, thereby reversing the effect observed in scaffold. Our results show that the pressure involved in thermal treatment of ZNR surface influences the amount of NiO deposited on ZNR surface, the reason behind shift in FL position and band bending. As a scaffold, ZNR 5 Pa surface was showing better performance in pollutant degradation and as a heterostructure, NiO (RT + post annealing) interface with ZNR 0.5 Pa was performing better than all other heterostructures by degrading pollutant with improved efficiency of 69% and attaining high photocurrent density of 6.5 mA/cm2. Keywords: ZnO nanorods, ZnO/NiO hetero structure, XPS, Band bending, Photocatalytic materials, Photoelectrochemical studies.

A..133
14:00
Authors : Sehun Seo, Seungkyu Kim, Hojoong Choi, So-Young Kim, Jongmin Lee, Hongji Yoon, Jaesun Song, Sang Yun Jeong, Byoung Hun Lee, Sanghan Lee*
Affiliations : School of Materials Science and Engineering, Gwangju Institute of Science and Technology, 123 Cheomdangwagi-ro, Buk-gu, Gwangju 61005, Republic of Korea

Resume : Two-dimensional transition metal dichacogenides (TMDs) have emerged as a novel atomic layered material system owing to their outstanding and unusual characteristics such as excellent transparency, near-infrared bandgap, and high carrier mobility. Hence, TMDs have been intensively studied as a catalyst for improving the stability and current density of silicon (Si)-based photoelectrochemical (PEC) water splitting. In order to apply TMDs to practical application for Si-based PEC water splitting, it is essential to fabricate large-scale uniform TMDs thin films on Si substrate. We recently reported the fabrication of highly uniform monolayer and few-layer WSe2 thin films on centimeter-scale Si-based substrates via pulsed laser deposition (PLD)[1]. Here, we also successfully fabricated TMDs heterostructure as well as single TMDs thin films on Si substrate using PLD. The high uniformity of the as-grown TMDs thin film on Si substrate was verified by Raman analysis with mapping. The PLD grown heterostructure TMDs/Si PEC cell developed in this study exhibited not only high current density exceeding 10.0 mA/cm2 at 0 V versus the potential of reversible hydrogen electrode under AM 1.5G illumination but also relatively superior stability than bare Si because TMDs protect Si surface and the electric fields in the TMDs p–n junction can improve the efficiency of hydrogen evolution reaction. These results indicate that PLD grown TMDs is a novel breakthrough for Si-based PEC water splitting.

A..134
14:15
Authors : C. Rodrigues, A. M. Pereira, J. Ventura
Affiliations : IFIMUP and IN - Institute of Nanoscience and Nanotechnology & Department of Physics and Astronomy, Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal

Resume : The most recent energy harvesting technology comes from the triboelectric effect [1,2]. Triboelectric nanogenerators (TENGs) are an emerging mechanical energy harvesting technology that was recently demonstrated based on the conjunction of triboelectrification and electrostatic induction in which a material becomes electrically charged after it comes into contact with another material through friction. Due to their flexibility, they can be fabricated in various configurations and consequently have a large number of applications [3,4]. Here, we present a study on the influence of the thickness of the triboelectric layer and of the contact surface area between two triboelectrical materials on the electric signals generated by a TENG. Using the PDMS-Nylon tribo-pair, and varying the thickness of the PDMS layer, we demonstrate that the generated voltage decreases with increasing thickness. However, the maximum generated current presents an inverse behaviour, increasing with increasing PDMS thickness. The maximum output power initially increases with increasing PDMS thickness up to 32 µm, followed by a sharp decrease. Using the same tribo-pair (but now with a constant PDMS thickness), we verified that increasing the contact surface area between the two tribo-materials increases the electrical signals generated from the triboelectric effect. References 1. Z. L. Wang, J. Chen, L. Lin, “Progress in triboelectric nanogenerators as a new energy technology and self-powered sensors”. Energy Environ Sci. 8(8), 2250-2282 (2015). 2. C. R. Rodrigues, C.A. Alves, J. Puga, , A.M. Pereira, J.O. Ventura, “Triboelectric driven turbine to generate electricity from the motion of water”. Nano Energy, 30:379-386 (2016). 3. Z. L. Wang, “On Maxwell's displacement current for energy and sensors: the origin of nanogenerators”. Materials Today, 20 (2), 74-82 (2017). 4. P. Maharjan, R.M. Toyabur, J.Y. Park, “A human locomotion inspired hybrid nanogenerator for wrist-wearable electronic device and sensor applications”. Nano Energy, 46, 383-395 (2018).

A..135
14:30
Authors : G. K. Gueorguiev
Affiliations : Dept. of Physics, Chemistry and Biology (IFM), Linköping University, 581 83 Linköping, Sweden (Email: gueorgui.kostov.gueorguiev@liu.se)

Resume : This explorative research aims at creating feasible ultrathin materials for high-performance supercapacitors (SC) and for hydrogen storage (HS). It focuses on acquiring new knowledge for maximizing adsorption capacity by design of the surface porosity of carefully selected 2D/ultrathin materials: MXenes, Porous carbon, both on their way to SC and HS applications. The modelling employs the originally developed DFT Synthetic Growth Concept (SGC) tool and featuring successive geometry relaxations and specific selection criteria. For the present project, we have developed the SGC at DFT level and also by integrating pioneering ab-Initio Molecular Dynamics (AIMD). The AIMD methodology as currently being developed for the purposes of this project by us will be illustrated for the specific case of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene (Phys.Chem.Chem.Phys. 2018, 20, 17751—17761).In collaboration with the leading expert in multidimensional materials for energy applications, Prof. Yury Gogotsi from Drexel, we are focusing on selecting by predictive simulations of the most prospective 2D/ultrathin architectures to submit them to experimental tests at Drexel. To work with this line of research presently we attract our collaborators from groups as widespread as Brazil, Uruguay, and USA.

A..136
14:45
Authors : Raffaello Mazzaro 1,2,3, Sara Boscolo Bibi 1, Giacomo Bergamini 2, Isabella Concina 1, Vittorio Morandi 3, Paola Ceroni 2, Alberto Vomiero 1.
Affiliations : 1. Teknikvetenskap och matematik Institution, Luleå University of Technology, Luleå, Sweden. 2. Department of Chemistry "G.Ciamician", Alma Mater Studiorum - University of Bologna, Bologna, Italy. 3. CNR-IMM Bologna - National Research Council, Bologna, Italy.

Resume : The production of hydrogen through the photoinduced water splitting process has been a scientific dream for long, but its application is yet to be effective. The limits are mainly related to the slow kinetics of the oxygen evolution reaction, due to its multi-electron character. Since the aim of the process is mostly the production of hydrogen, an effective workaround might be to replace the conventional water oxidation path with the oxidation of an organic compound to a molecule of industrial or pharmaceutical value, in order to exploit the full potential of the photocatalytic process. In this study, the photoelectrochemical oxidation of Benzylamine to N-benzylidenebenzylamine1 and the simultaneous production of hydrogen in acidic media has been achieved upon irradiation of α-Fe2O3 (hematite) photoanodes, with only 0.3V of applied external bias. α-Fe2O3 nanostructured thin films have been grown on FTO substrates through a high throughput, extremely cheap hydrothermal technique, allowing for full catalyst recyclability and extremely trivial product workup. The electrodes display elevated IPCE up to 550 nm and good stability under anodic polarization. In addition, the morphology and the Sn/Ti substitutional doping of α-Fe2O3 nanostructured photoanodes has been optimized, producing photo-currents as high as 1.2 mA/cm2 at 1.0V vs SHE and unitary faradaic efficiency for the organic oxidation reaction. 1 H. Liu, C. Xu, D. Li, and H.-L. Jiang, Angew. Chemie Int. Ed. 57, 5379 (2018).

A..137
15:00
Authors : I.A. Kowalik (1), Juwon Lee (2), A. Nicolaou (3), N.G. Subramaniam (2), T.W. Kang (2), R. Ahuja (4), D. Arvanitis (4)
Affiliations : (1) Institute of Physics, Polish Academy of Sciences, Warsaw, Poland; (2) Quantum Functional Semiconductor Research Center and Nano Information Technology Academy(NITA), Dongguk Univ., 26 Phildong 3ga Chung gu, Seoul, 100-715, Rep. of Korea; (3) Synchrotron SOLEIL, L'Orme des Merisiers Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex; (4) Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden

Resume : By a combination of ab-initio theory, SQUID magnetometry and x-ray magnetic circular dichroism it was shown that doping ZnO with a heavy p element, such as Bi, leads to p-p related itinerant ferromagnetism. [1] In this new class of dilute magnetic semiconductor materials, the magnetic properties are explained by the p-orbital interaction between the dopant and the host atoms. Here we present a combined resonant inelastic x-ray scattering (RIXS) and x-ray absorption spectroscopy (XAS) study at the O K-edge of pure ZnO, as well as Bi doped ZnO thin films. The combination of these two techniques for pure ZnO thin films as compared to Bi doped ZnO films, allows for a direct characterization of the impact of the dopant atoms on the electronic structure of the ZnO films. We can in particular contrast in a direct manner the impact of the hybridization between the O atom 2p states with the Bi 6p-states. Following a comparison of the RIXS and XAS data, the impact of the different electronic structure of the dopants on the ZnO films, in order to obtain stable magnetic phases will be discussed. The work is supported by the Polish NCN (DEC-2011/03/D/ST3/02654), the Korean NRF (NRF-2016R1C1B1014103), and the Swedish Tryggers Foundation. (CTS 16:32). [1] J. Lee, N.G. Subramaniam, I. A. Kowalik et al. Scientific Reports 5, 17053 (2015)

A..138
16:00
Authors : H. M. R. Wilkening, S. Lunghammer, D. Prutsch
Affiliations : Institute for Chemistry and Technology of Materials, Graz University of Technology, Stremayrgasse 9, A-8010 Graz, Austria

Resume : The search for the best next-generation electrochemical storage devices has driven research into hyperionic conductors to an unprecedented level. While over the last couple of years several highly conducting oxides and sulphides have been presented in literature, the origins of extremely fast, liquid-like diffusion of Li and Na ions need to be identified. Broadband impedance spectroscopy and time-domain nuclear magnetic resonance (NMR) spectroscopy are well suited not only to study long-range ion dynamics but also to uncover the elementary steps of ion hopping taking place on shorter length scales. In some cases, these extremely fast jump processes occur in interconnected pocket-like environments characterised by geometric frustration. Also regions offering 1D or 2D diffusion should be taken into account when explaining overall dynamic properties. Recent results obtained by Li(7) and Na(23) NMR spin-lattice relaxation measurements will be presented and discussed; model substances include Li-bearing thiophosphates and highly dense Na-beta''-alumina, for example.

A..139
16:30
Authors : S. Filice1, G. Urzì2, R.G. Milazzo1, S. Privitera1, S.A. Lombardo1, G. Compagnini2 and S. Scalese1
Affiliations : 1 CNR-IMM, Zona Industriale Strada VIII n.5, I-95121 Catania, Italy. 2Dipartimento di Scienze Chimiche, Università degli Studi di Catania, Viale A. Doria n.6, I-95125 Catania, Italy

Resume : Polymer electrolyte membrane (PEM) water electrolysis is one of the most promising technologies for hydrogen production due to its relatively high compactness, simple system, low operating temperature and high efficiency. The durability and costs of PEM electrolysers are still the two main barriers for their commercialization. Usually, the membrane is an insulator ionomer characterized by high proton conductivity, low permeability to hydrogen and oxygen, chemical, mechanical and thermal stability, long lifetime. Nafion® is the most used one due to its high cell performance and long lifetime, but its high cost leads to search for alternative high performance membranes cheaper than the fluorinated membranes. In this study, Nexar™, a sulfonated pentablock copolymer (s-PBC: tBS–HI–sS : S–HI–tBS), already used for other applications has been investigated in a water electrolysis cell and its performance has been compared with Nafion itself. In addition, s-PBC nanocomposite films have been prepared by dispersing titania and graphene oxide nanoparticles in the commercial solution changing the solvent. The new nanocomposites have been characterized with chemical, morphological and structural analyses and their water splitting performance has been compared with Nafion and s-PBC commercial films.

A..140
16:45
Authors : Mathias Fingerle, Sven Tengeler, Wolfram Calvet, Thomas Mayer, Wolfram Jaegermann
Affiliations : Surface Science Division, Department of Materials Science, Technical University Darmstadt, Otto-Berndt-Str. 3, D-64287 Darmstadt, Germany

Resume : Elemental charge transfer processes at the semiconductor/Electrolyte interface can be studied via cryo photoelectron spectroscopy and post-operando experiments [1]. Here, the interaction of nickel oxide thin films, magnetron sputtered at different temperatures, on an n-type silicon photo-anode is investigated in perspective to oxygen evolution. The thin films were exposed in-situ stepwise to gas phase water at liquid N2 temperature and analyzed via X-ray and UV photoelectron spectroscopy in the so called frozen electrolyte approach. Photoemission of the pristine NiOx layer shows the presence of stoichiometric NiO and Ni2O3 as well as of non-stoichiometric phases, their ratio depending on the temperature during sputtering. In the monolayer range, molecular and dissociative adsorption is detected and assigned to the NiO respective Ni2O3 phase. Initially, the emissions of the molecular adsorbed water species interacting with NiO are found at 0.8 eV lower binding energies as compared to water related emissions for higher coverages with binding energies commonly assigned to H2O-H2O interaction [2]. The electronic structure of the n-Si/SiOx/NiOx/H2O photoanode is measured and discussed. A fundamental understanding on the atomistic scale will lead the way to improved materials and device designs for energy storage. [1] Mayer, T., et al., Journal of Electron Spectroscopy and Related Phenomena, 2017. 221. [2] Fingerle, M., et al., Journal of The Electrochemical Society, 2018. 165(4)1.

A..141
17:00
Authors : Mengjiao Wang1, Dipak Shinde1, Luca De Trizio1, Liberato Manna1
Affiliations : 1 Nanochemistry Department, Istituto Italiano di Tecnologia (IIT), via Morego 30, Genova, Italy.

Resume : With the increasing demand for renewable and green energy, the oxygen evolution reaction (OER) is receiving a particular attention because of its wide application in energy conversion and storage, such as hydrogen production from electrolysis of water, regenerative fuel cells, and air-breathing batteries. A complete understanding of the mechanisms underlying such reaction, however, has yet not been achieved. However, the mechanism of OER is complicated and considered to include four elementary reactions, and in each reaction the proton coupled electron transfer step is involved. Therefore, an ideal electrocatalyst for the OER should overcome not only the kinetic limitations connected with the multistep nature of the reaction itself, but also it should work at a low overpotential. Although precious metal oxides such as IrO2 and RuO2 are commercially employed as active electrocatalysts for OER, their scarcity and prohibitive costs are motivating/pushing the scientific research toward more economic and abundant materials. Over the last few decades, indeed, extensive efforts have been devoted to designing and synthesizing a great diversity of electrocatalytic systems based on earth-abundant 3d transition metal compounds. Among them, nickel- and cobalt-based chalcogenides have sparked great interest owning to their promising properties in OER. These compounds have been mainly synthesized in the form of microcrystals via hydrothermal, solvothermal or electrodeposition techniques, or based on the combination of these three techniques and other methods. Besides, ternary Ni-Co-S nanosheets film and Co-doped NiSe2 nanoparticles film were also synthesized by eletrodeposition. Unlike the syntheses of alloy of the cations, the numbers of reports on the mixture of the anions are less. Nevertheless, there are very few reports about the colloidal synthesis of Ni- or Co- based chalcogenides for the applications in electrocatalysis, despite that colloidal synthesis is one of the most successful methods in synthesizing NCs. Interestingly, it has been shown that the OER performances of such materials can be tuned via composition control, that is by modulating the Co/Ni elemental ratio in the catalyst. These findings have been tentatively explained considering that the presence of both Ni and Co elements has a synergistic effect which can lead to the formation of more active sites with lower activation energy. Unfortunately, it is still not clear what is the specific role of Ni and Co elements, nor which is the Ni/Co ratio that optimizes the OER catalytic properties of each different system. For example, in some recent reports dealing with Ni-Co chalcogenide materials, improved OER performances have been reported either in Co-rich or Ni-rich compounds. Moreover, another interesting feature characterizing Ni, Co chalcogenide based materials, is that a synergistic effect may arise also from the presence of both S and Se anions. But a complete understanding of the role of both S and Se in the catalytic properties of the final material is still lacking at the moment. All these recent findings motivated us to investigate not only if optimized OER performances could be achieved via both cation and anion composition tuning of Ni-Co-S-Se catalysts, but also the specific role of Ni, Co, S and Se elements in the catalytic reaction. As no multinary Ni-Co-S-Se NC system have been reported so far, we first developed a new colloidal synthesis to produce either binary NiSe, CoSe, ternary Ni-Co-Se or quaternary Ni-Co-S-Se NCs having the same hexagonal crystal structure and similar size, then we systematically studied their catalytic properties and transformations upon the OER process performed in alkaline conditions. Our findings indicated that NiSe NCs had poor activity, while CoSe NCs were completely transformed into active CoOx or CoOHx species. The incorporation of Ni into the CoSe NCs, which produces Ni-Co-Se NCs, increased the overall OER activity by enhancing the electrical conductivity of the material, lowering the onset potential and resulting, upon OER, in the formation of mixed Ni-Co oxide species. Moreover, the insertion of Sulfur inside Ni-Co-Se NCs, that led to Ni-Co-S-Se NCs, further increased the conductivity of the final NCs, thus resulting in an optimal performance in OER.

A..142
17:15
Authors : Haw Choon Yian,1,2 Chiu Wee Siong,2 Aidahani Abdullah,2 Thomas C. K. Yang,3 Chen Shihwen,3 Pan Guan-Ting,3 Muhammad Azmi Abdul Hamid,4 Khiew Poi Sim5
Affiliations : 1 - School of Engineering, Xiamen University Malaysia, Jalan Sunsuria, Bandar Sunsuria, 43900 Sepang, Selangor, Malaysia. 2 - Low Dimensional Materials Research Centre, Department of Physics, Faculty of Science, University of Malaya, 50603, Lembah Pantai, Kuala Lumpur, Malaysia. 3 - Department of Chemical Engineering, National Taipei University Of Technology, 1 Zhongxiao E. Rd. Sec. 3, Da?an District, Taipei City 106, Taiwan, ROC. 4 - School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor, Malaysia. 5 - Department of Chemical Engineering, Faculty of Engineering, University of Nottingham Malaysia Campus, Jalan Broga, Semenyih 43500, Selangor, Malaysia.

Resume : Global energy crisis and the concern of environmental issues has become an alarming call by all population across the world. Returning to renewables resources such as converting sunlight to hydrogen is one the most attractive approaches to meet the growing demand for energy in future generations as it provides a cleaner route to harvest the energy from solar and is clean and zero emission. Photoelectrochemical (PEC) water splitting utilizes solar energy to split water molecule into hydrogen and oxygen gases, with the use of photoactive semiconductor has been widely studied due to its feasibility and promising properties to becoming new generation renewable energy source. However, the need for applied bias and low conversion efficiency stymies the widespread application of this technology which further sparks interests amongst scientists in search for developing highly functionalized PEC device to improve solar-to-hydrogen efficiency. In a PEC system, the most important element is the photoelectrode, where the incident light is converted into electrical energy, and where the water splitting event takes place to produce hydrogen gas. To date, combination of novel semiconducting nanomaterials and noble metal decoration such as gold (Au) nanoparticles has been regarded as one of the most investigated study in PEC cell as it offers plasmonic effect to synergize the photoelectrochemical performance. However, details about the mechanism and kinetics of charge carriers extraction at interfaces in Au-TiO2 has not yet been fully understood. This work aims to systematically elucidate the kinetic characterization of electron transport and charge recombination in Au-decorated TiO2 nanorods photoanode under irradiation of AM 1.5G. The photoanodes were fabricated using chemical architecture with FTO and Au contacts with the use of sputtering approach to carefully control the Au coverage density and particle size. Specifically, techniques involving non-steady state intensity-modulated photocurrent spectroscopy (IMPS) and intensity-modulated photovoltage spectroscopy (IMVS) are presented in detail. The results provide direct evidence of decay kinetics indicating nongeminate recombination of the electron-hole pairs at interfaces of Au-TiO2. This decay component represents the transfer of generated electrons from TiO2 to Au, which is consistent with the prominent increase of overall steady-state photoelectrochemical activities by the introduction of plasmonic Au nanoparticles.

A..143
17:30
Authors : Gamze Atak, Özlem Duyar Co?kun
Affiliations : Hacettepe University, Department of Physics Engineering, Thin Film Preparation and Characterization Laboratory, 06800 Beytepe, Ankara, Turkey

Resume : Optical properties of electrochromic (EC) materials such as transmission, absorption and reflection can be reversibly changed when an external potential difference is applied to them. The characteristics of EC devices (ECD) such as low power consumption, high coloration efficiency, memory effects make them suitable for use a variety of applications including architectural smart windows, rear-view mirrors and sunroofs for automobiles, information displays. In recent years, studies have focused on Li+ conductors because of their potential application in such ionic devices like EC displays, thin-film batteries. Lithium niobate (LiNbO3) among currently available Li+ conductors are considered the most promising ones to use as a source of ions as well as an ion-conducting layer in ECDs. In this study, LiNbO3 films were non-reactively deposited onto glass and ITO-coated glass substrates by RF magnetron sputtering with various Ar pressure changing from 10 to 40 mTorr. The effects of Ar pressure on the electrochromic properties of LiNbO3 films were systematically investigated by optical, electrochemical and electrochemical impedance spectroscopy measurements. The amount of inserted/extracted and residual charges of the films during the bleaching/coloring processes were investigate. EC performance of LiNbO3 films in terms of optical modulation (?T) and coloration efficiency (CE) improved. The film deposited at 30 mTorr exhibited relatively higher CE (16.0 cm2/C) and ?T (21.4%).

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Symposium organizers
Priya VASHISHTAUniversity of Southern California

3651 Watt Way, Los Angeles CA 90089, USA

priyav@email.usc.edu
Rajeev AHUJADepartment of Physics and Astronomy, Uppsala University

Box-516 SE-75120 Uppsala, Sweden

rajeev.ahuja@physics.uu.se
Yong-Mook KANGDongguk University

Dept. of Energy & Materials Engineering - 30, Pildong-ro 1 gil, Jung-gu, Seoul, 04620, Republic of Korea

82 10 3257 9051
dake1234@dongguk.edu