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Poster - 38 Energy: Materials for energy conversion and storage
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Presentations | |
ID: 1965
/ Poster - 38 Energy: 1
Poster session abstracts Poster Poster session abstracts ID: 610
/ Poster - 38 Energy: 2
Materials and minerals Oral/poster MS: Materials for energy conversion and storage, Energy Materials Keywords: hybrid organic-inorganic perovskite, neutron diffraction, hydrogen bonding, event data, multidimensional crystallography Hydrogen bonding in hybrid organic-inorganic perovskite materials Oak Ridge National Laboratory, Oak Ridge, United States of America External Resource: https://www.xray.cz/iucrp/P_522
ID: 264
/ Poster - 38 Energy: 3
Bursary application Oral/poster MS: Materials for energy conversion and storage Keywords: solid electrolytes, Voronoi partitioning, ToposPro, DFT calculations, high-valent conductors Combined crystallochemical and quantum-chemical search for new high-valent chalcogen-containing ionic conductors 1Samara Center for Theoretical Materials Science, Samara, Russian Federation; 2Samara Center for Theoretical Materials Science, Samara Polytech, Samara, Russian Federation; 3IEP TUBAF, Freiberg, Germany Bibliography
1.Timofeyeva* Ye.A. Prospective K+-conducting materials for the creation of new chemical energy sources. (MAX Press 2016, ISBN 978-5-317-05237-9). 2.Timofeyeva* Ye.A., Kabanova N.A., Blatov V.A. Crystal-chemical analysis of K+-ionic conductivity in oxygen-containing inorganic compounds (LLC Bordernaya 2016, ISBN 978-5-94691-836-7). 3.Timofeyeva* Ye.A., Kabanova N.A., Blatov V.A. Crystallochemical analysis of ion conductivity in K+-oxygen containing inorganic compounds (Acta Crystallographica Section A 2016. P.286.). 4.Timofeyeva* Yelizaveta. K+-conductive inorganic ternary and quaternary compounds as advanced materials for solid electrolyte batteries. (“Inconsult-K” LLC 2016, ISBN 978-5-9907236-6-5). 5.Timofeyeva* Ye.A., Blatov V.A. SEARCH FOR NEW SOLID CHEMICAL SILVER-CONTAINING CURRENT SOURCES WITH THE HELP OF GEOMETRICAL-TOPOLOGICAL ANALYSIS, 2017, ISBN: 978-5-7883-1184-5). 6.Timofeyeva* Ye.A., Blatov V.A. Crystal-chemical analysis of Ag+-ionic conductivity in ternary and quaternary sulfur- and selenium-containing inorganic compounds (2017, ISBN 978-5-91256-383-6). 7.Timofeyeva* Ye.A., Kabanova N.A., Blatov V.A. Simulation of cationic conductivity in inorganic compounds with multivalent cations (Mg2+, Ca2+, Sr2+). (2018, ISBN 978-5-9933-0102-0). 8.Timofeyeva* Ye. A., Kabanova N.A., Blatov V.A. Simulation of ionic conductivity of multivalent cations in inorganic compounds, 2018, ISBN 978-5-9933-0119-8. 9.Eremin R. A., Kabanova N. A., Morkhova Y. A., Golov A. A., Blatov V. A. 2018. High-throughput search for potential potassium ion conductors: A combination of geometrical-topological and density functional theory approaches. Solid State Ionics, 326, 188-199. DOI: 10.1016/j.ssi.2018.10.009 10. Morkhova E.A., Kabanov A.A., Blatov V.A. Modeling of Ionic Conductivity in Inorganic Compounds with Multivalent Cations. Russian Journal of Electrochemistry 2019. Vol. 55, Issue 8, P. 762-777. DOI: 10.1134/S102319351908010X 11. Kabanov A.A., Kosova N.V., Morkhova Elizaveta etc. A new comprehensive theoretical approach for analysis of cation diffusion processes in the mixed phase Na(2-x)LixFePO4F, 2019, ISBN 978-5-4437-0950-5. 12.Morkhova Elizaveta. Combination Of Data Mining and DFT Modeling Of Ag+-Conductivity In S(Se)-Containing Inorganic Compounds // 32 Meeting of the European Crystallographic Association. 2019. P. 318, ISBN 978-5-4437-0950-5. 13. Morkhova Elizaveta, Blatov V.A. Combined crystallochemical and quantum-chemical methods for prediction of new Ag+-containing inorganic solid electrolytes // ХХI Mendeleev Congress on General and Applied Chemistry. 2019. Vol. 6, P. 372. ISBN 978-5-6043248-4-4. 14.Kabanov A.A., Morkhova Elizaveta, Leisegang T. etc. Identification of new high-valent ionic conductors by using combination of topological and dft methods // ХХI Mendeleev Congress on General and Applied Chemistry. 2019. Vol. 6, P. 367. ISBN 978-5-6043248-4-4. 15.Kabanov, A. A., Morkhova, Y. A., Kabanova, N. A. Pathfinder toolkit for analysis of ion migration pathways in solids. VI International Conference on Information Technology and Nanotechnology. 2020. P. 861-863. 16.Egorova A. V., Belova K. G., Animitsa I. E., Morkhova Y. A., Kabanov A. A.. Effect of zinc doping on electrical properties of LaAlO3 perovskite. Chimica Techno Acta. 2021. Vol. 8(1). DOI: 10.15826/chimtech.2020.8.1.03 *- surname changed from October, 2018. External Resource: https://www.xray.cz/iucrp/P_514
ID: 922
/ Poster - 38 Energy: 4
Materials and minerals Oral/poster MS: Materials for energy conversion and storage, Energy Materials Keywords: nitride materials, semiconductors, structure-property relationships, neutron Cation disorder in zinc-group IV- nitride and oxide nitride semiconductor materials revealed through neutron diffraction 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 External Resource: https://www.xray.cz/iucrp/P_521
ID: 625
/ Poster - 38 Energy: 5
Materials and minerals Oral/poster MS: Materials for energy conversion and storage Posters only: Structure and phase transitions in advanced materials Keywords: : iron-gallium borates single crystals, flux growth, XRD analysis, Mössbauer spectroscopy Crystal structure and Mössbauer studies of gallium iron borate single crystals 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 External Resource: https://www.xray.cz/iucrp/P_518
ID: 1265
/ Poster - 38 Energy: 6
Materials and minerals Oral/poster MS: Materials for energy conversion and storage Keywords: Regression analysis; Modeling; Photomechanical bending; Blocking force; Photoisomerization Model construction of actuation performance of a photo-bending crystal using machine learning-based regression. 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 External Resource: https://www.xray.cz/iucrp/P_517
ID: 838
/ Poster - 38 Energy: 7
Materials and minerals Oral/poster MS: Materials for energy conversion and storage, Complex structures of minerals and inorganic materials, Energy Materials Keywords: Hydration, Proton conduction, Neutron diffraction, XANES Expanded chemistry and mixed ionic-electronic conductivity in vanadium-substituted variants of γ-Ba4Nb2O9 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 External Resource: https://www.xray.cz/iucrp/P_509
ID: 481
/ Poster - 38 Energy: 8
Bursary application Poster MS: Materials for energy conversion and storage, Complex structures of minerals and inorganic materials, Catalysis: functionalized materials studied by XRD and XAFS, Energy Materials Special sessions: Introduction to machine learning Posters only: Structural studies for environmental sciences Keywords: Green chemistry, Model catalyst, Rhodium(I) complex, Water-soluble. Environmentally Friendly Rhodium(I) Model Catalysts tailored by various bidentate and monodentate (water-soluble) ligand. University of The Free State, Pretoria, South Africa Bibliography
Zanele G. Morerwa and Gertruida J.S. Venter, Poli- and isomorphism in halogen-substituted 4-(phenylamino)pent-3-en-2-one compounds, Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie 38(1) (2019) External Resource: https://www.xray.cz/iucrp/P_524
ID: 535
/ Poster - 38 Energy: 9
Bursary application Poster MS: Phase transitions in complex materials (structure and magnetism), Materials for energy conversion and storage, Energy Materials Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Perovskites, SOFC, Powder diffraction, Electrochemistry 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. 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 Bibliography
Lanthanide coordination polymers with N-methyliminodipropionic acid: Synthesis, crystal structures and luminescence doi.org/10.1016/j.ica.2017.03.039Bibliography New polynuclear compounds based on N-benzyliminodipropionic acid: solution studies, synthesis, and X-ray crystal structures doi.org/10.1080/00958972.2016.1239086 External Resource: https://www.xray.cz/iucrp/P_516
ID: 761
/ Poster - 38 Energy: 10
Materials and minerals Oral/poster MS: Materials for energy conversion and storage, Complex structures of minerals and inorganic materials, Disordered materials: spectroscopic and scattering techniques, Energy Materials Posters only: Structure and phase transitions in advanced materials, Materials and minerals (if it does not fit to any specific topics) Keywords: Pyrochlores, fluorites, disorder, local-structure, total-scattering Lattice disorder and oxygen migration pathways in pyrochlore and defect-fluorite oxides 1School of Chemistry, The University of Sydney, Sydney; 2Australian Nuclear Science and Technology Organisation; 3Neutron Scattering Division, Oak Ridge National Laboratory External Resource: https://www.xray.cz/iucrp/P_515
ID: 1523
/ Poster - 38 Energy: 11
Materials and minerals Poster MS: Materials for energy conversion and storage, Energy Materials Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Lithium Ion Cathode Materials, Crystal Structure, Electrochemical Properties LiFe2-xInxSbO6 Oxides as Li-ion Cathode Materials 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 External Resource: https://www.xray.cz/iucrp/P_523
ID: 1522
/ Poster - 38 Energy: 12
Materials and minerals Poster MS: Materials for energy conversion and storage, Energy Materials Keywords: in situ XRD, Rietveld, PDF, SOFC, SOEC Enigmatic Structure Property Behaviour in SOFC & SOEC electrolyte materials University of the Witwatersrand, Johannesburg, South Africa External Resource: https://www.xray.cz/iucrp/P_513
ID: 1579
/ Poster - 38 Energy: 13
Materials and minerals Poster MS: Materials for energy conversion and storage Posters only: Crystallography in industry and applied sciences, General (if it does not fit to any specific topics nor areas) Keywords: piezoelectricity, gallium phosphate, time resolved structure analysis Time resolved structure analysis of vibrating gallium phosphate under alternating electric field 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 External Resource: https://www.xray.cz/iucrp/P_511
ID: 1426
/ Poster - 38 Energy: 14
Materials and minerals Poster MS: Materials for energy conversion and storage, Energy Materials Posters only: Crystallographic analysis of films and surfaces Keywords: Thin Films, XRD, XRF, GIXRD, XRR Analysis of multi-layer thin film materials using benchtop XRD and XRF systems 1Thermo Fisher Sceintific, Dreieich, Germany; 2Thermo Fisher Sceintific, Artenay, France; 3Thermo Fisher Sceintific, Dreieich, Germany ID: 781
/ Poster - 38 Energy: 15
Materials and minerals Oral/poster MS: Energy Materials Posters only: Materials and minerals (if it does not fit to any specific topics) Keywords: Metal-Organic Framework, Magnetocaloric effect, magnetic cooling, magnetic entropy, coordination polymers Exploring the magnetocaloric effect in the Ln(HCO2)(C2O4) family of Metal-Organic Frameworks 1School of Phyisical Sciences, University of Kent, Canterbury, UK; 2ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot, UK External Resource: https://www.xray.cz/iucrp/P_519
ID: 1574
/ Poster - 38 Energy: 16
Poster sessions Poster Posters only: Materials for energy conversions and storage, Nanomaterials, SAXS, SANS Keywords: SAXS; WAXS; in situ studies; operando studies; electrochemistry; energy storage Operando SAXS/WAXS studies for structure determination of energy storage materials using a unique electrochemical-scattering cell 1Anton Paar GmbH, Graz, Austria; 2ETH Zürich, Zürich, Switzerland External Resource: https://www.xray.cz/iucrp/P_510
ID: 301
/ Poster - 38 Energy: 17
Bursary application Oral/poster MS: Energy Materials Keywords: NASICON, Lithium aluminium dysprosium titanium phosphate, ionic conductivity The role of Al3+, Dy3+ co-doping on the structure-property correlations in NASICON-type LiTi2(PO4)3 solid-state electrolytes 1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, South Africa; 2DSI-NRF Centre of Excellence in Strong Materials (CoE-SM) Bibliography
Exploring structure-property relationships in Sn-doped NASICON-type LiTi2(PO4)3 (Poster) South Africa-European Synchrotron Radiation Facility (SA-ESRF) Light Source Conference and Workshop; University of Johannesburg (11-13 November 2019) Studying the effects of M4+-cationic substitution (M=Ti, Sn, Hf) on the ionic conductivity of LiTi2(PO4)3 (Poster) DSI-NRF Centre of Excellence in Strong Materials Annual Student Presentation Workshop; University of the Witwatersrand (21 May 2019) African Neutron and Synchrotron Data Competency workshop, University of Cape Town (27 November-7 December 2018) Online course: Applications of Synchrotron and Electron-Based techniques; Brookhaven National Laboratory (January-May 2018) External Resource: https://www.xray.cz/iucrp/P_508
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