Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 6th Dec 2022, 12:52:05am CET

Session Overview
Poster - 38 Energy: Materials for energy conversion and storage
Thursday, 19/Aug/2021:
5:10pm - 6:10pm

Session Chair: Stefan Adams
Session Chair: Jean-Marc Joubert


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Poster session abstracts

Radomír Kužel

Hydrogen bonding in hybrid organic-inorganic perovskite materials

Xiaoping Wang

Oak Ridge National Laboratory, Oak Ridge, United States of America

Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors

Yelizaveta Morkhova1,2, Artem Kabanov1,2, Tillman Leisegang2,3, Manuel Rothenberger3, Vladislav Blatov1,2

1Samara Center for Theoretical Materials Science, Samara, Russian Federation; 2Samara Center for Theoretical Materials Science, Samara Polytech, Samara, Russian Federation; 3IEP TUBAF, Freiberg, Germany

Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction

Susan Schorr1,2, Joachim Breternitz1,3, Zhenyu Wang1,2

1Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin, Germany; 2Freie Universitaet Berlin, Institute of Geological Sciences, Berlin, Germany; 3Universitaet Potsdam, Institute of Chemistry, Potsdam, Germany

Crystal structure and Mössbauer studies of gallium iron borate single crystals

Igor Lyubutin1, Nikita Snegirev1, Ekaterina Smirnova1, Sergey Starchikov1, Marianna Lyubutina1, Vladimir Artemov1, Sergey Yagupov2, Mark Strugatsky2, Yuliya Mogilenec2, Olga Alekseeva1

1Shubnikov Institute of Crystallography of FSRC “Crystallography and Photonics” RAS, 119333, Moscow, Russia; 2Physics and Technology Institute, V.I. Vernadsky Crimean Federal University, 295007, Simferopol, Russia

Model construction of actuation performance of a photo-bending crystal using machine learning-based regression.

Kazuki Ishizaki1, Yuki Hagiwara1, Hideko Koshima2, Takuya Taniguchi3, Toru Asahi1,2

1Graduate School of Advanced Science and Engineering, Waseda University, Tokyo, Japan; 2Research Organization for Nano & Life Innovation, Waseda University, Tokyo, Japan; 3Center for Data Science, Waseda University, Tokyo, Japan

Expanded chemistry and mixed ionic-electronic conductivity in vanadium-substituted variants of γ-Ba4Nb2O9

Alex Brown1, Bettina Schwaighofer2,3, Max Avdeev1,4, Bernt Johannessen5, Ivana Radosavljevic Evans2, Chris Ling1

1School of Chemistry, The University of Sydney, Sydney, Australia; 2Department of Chemistry, Durham University, Science Site, South Road, Durham DH1 3LE, U.K.; 3Institut Laue Langevin, 71 Rue de Martyrs, 38000 Grenoble, France; 4Australian Nuclear Science and Technology Organisation, Lucas Heights NSW 2234, Australia; 5Australian Synchrotron, Clayton, Victoria, 3168 Australia

Environmentally Friendly Rhodium(I) Model Catalysts tailored by various bidentate and monodentate (water-soluble) ligand.

Zanele Morerwa, Alice Brink, Andreas Roodt

University of The Free State, Pretoria, South Africa

Synthesis, characterization of high-temperature properties and evaluation of REBa2Cu3O6+δ (RE = La, Nd and Y) as cathode for Intermediate Temperature Solid Oxide Fuel Cells.

Joaquín Grassi1, Leopoldo Suescun1, Mario Alberto Macías2, Adriana Serquis3

1Facultad de Química, Universidad de la República, Montevideo , Uruguay; 2Departamendo de Química, Universidad de los Andes, Bogotá, Colombia; 3Departamento de Caracterización de Materiales, CAB-INN-CONICET-CNEA, Bariloche, Argentina

Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides

Frederick Marlton1, Zhaoming Zhang2, Yaunpeng Zhang3, Thomas Proffen3, Chris Ling1, Brendan Kennedy1

1School of Chemistry, The University of Sydney, Sydney; 2Australian Nuclear Science and Technology Organisation; 3Neutron Scattering Division, Oak Ridge National Laboratory

LiFe2-xInxSbO6 Oxides as Li-ion Cathode Materials

Xabier Martinez de Irujo Labalde1, Josie-May Whitnear2, Samuel Booth2, Bonan Zhu3, Michael Hayward1

1Inorganic Chemistry Laboratory, University of Oxford, Oxford, United Kingdom; 2Department of Chemical and Biological Engineering, The University of Sheffield, United Kingdom; 3Department of Chemistry, University College London, United Kingdom

Enigmatic Structure Property Behaviour in SOFC & SOEC electrolyte materials

David Gordon Billing, Caren Billing, Mathias Kiefer, Sikhumbuzo Masina

University of the Witwatersrand, Johannesburg, South Africa

Time resolved structure analysis of vibrating gallium phosphate under alternating electric field

Shinobu Aoyagi1, Kazuhira Miwa1, Hitoshi Osawa2, Kunihisa Sugimoto2,3, Hiroaki Takeda4

1Department of Information and Basic Science, Nagoya City University, Nagoya 467-8501, Japan; 2Research and Utilization Division, Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198, Japan; 3Institute for Integrated Cell-Material Sciences (iCeMS), Kyoto University, Yoshida-Ushinomiya-cho, Sakyo-ku, Kyoto 606-8501, Japan; 4Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama, 338-8570, Japan

Analysis of multi-layer thin film materials using benchtop XRD and XRF systems

Dr. Simon Welzmiller1, Eric Berthier2, Raphael Yerly3

1Thermo Fisher Sceintific, Dreieich, Germany; 2Thermo Fisher Sceintific, Artenay, France; 3Thermo Fisher Sceintific, Dreieich, Germany

Exploring the magnetocaloric effect in the Ln(HCO2)(C2O4) family of Metal-Organic Frameworks

Mario Falsaperna1, Gavin B.G. Stenning2, Ivan da Silva2, Paul J. Saines1

1School of Phyisical Sciences, University of Kent, Canterbury, UK; 2ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot, UK

Operando SAXS/WAXS studies for structure determination of energy storage materials using a unique electrochemical-scattering cell

Heiner Santner1, Christian Prehal2, Andreas Keilbach1, Georg Urstöger1, Andrew Jones1

1Anton Paar GmbH, Graz, Austria; 2ETH Zürich, Zürich, Switzerland

The role of Al3+, Dy3+ co-doping on the structure-property correlations in NASICON-type LiTi2(PO4)3 solid-state electrolytes

Gugulethu Charmaine Nkala1,2, Sikhumbuzo Masina1, Caren Billing1, Roy Peter Forbes1, David Gordon Billing1,2

1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, South Africa; 2DSI-NRF Centre of Excellence in Strong Materials (CoE-SM)

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