Session Overview | |
Location: 223-4 60 2nd floor |
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10:20am - 12:45pm | MS-3: Crystallographic approaches for designing new framework materials (including post-synthetic modification) Location: 223-4 Session Chair: Yue-Biao Zhang Session Chair: Sergei Alexandrovich Sapchenko |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
From positive to colossal negative thermal expansion in a novel family of bimetallic imidazolates 1MFF, Charles University, Prague, Czech Republic; 2DQMP, University of Geneva, Geneva, Switzerland; 3ICMN, Université catholique de Louvain, Louvain-la-Neuve, Belgium; 4Ruđer Bošković Institute, Zagreb, Croatia 10:55am - 11:25am
Solvent-dependent phases and phase transformations of a family of 2D halogen-bonded networks The University of Sheffield, Sheffield, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=233
11:25am - 11:45am
Structural features of the formation of Hydrogen bonded Organic Frameworks 1Centre for Structural Science, Research Centre for Natural Sciences; 2Centre for Structural Science and Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences; 3Institute of Organic Chemistry, Research Centre for Natural Sciences; 4Centre for Structural Science and Institute of Organic Chemistry, Research Centre for Natural Sciences, Budapest, Hungary External Resource: https://www.xray.cz/iucrv/vidp.asp?id=234
11:45am - 12:05pm
Preferences of Chirality and Polarity in Triglycine sulfate Crystals 1School of Advance Science and Engineering, Waseda University, Tokyo, Japan; 2Faculty of Engineering, University of Toyama, Toyama, Japan; 3Research Center for Ubiquitous MEMS and Micro Engineering, National Institute of Advanced Industrial Science and Technology (AIST), Ibaraki, Japan; 4Department of Applied Chemistry, School of Engineering, The University of Tokyo, Tokyo, Japan; 5Graduate School of Advance Science and Engineering, Waseda University, Tokyo, Japan; 6Faculty of Science and Engineering, Waseda University, Tokyo, Japan; 7Research Organization for Nano & Life Innovation, Waseda University, Tokyo, Japan 12:05pm - 12:25pm
Solid-state isolation of reactive complexes in a metal-organic framework matrix Department of Chemistry, The University of Adelaide, Adelaide, Australia 12:25pm - 12:45pm
Improvement of precision and sensitivity in refinement of crystal structure factors using zone-axis and Bragg-excited CBED patterns 1IMRAM, Tohoku University, Sendai, Japan.; 2FRIS, Tohoku University, Sendai, Japan. |
2:45pm - 3:45pm | MS-5b: Crystal structure prediction Location: 223-4 Session Chair: Qiang Zhu Session Chair: Rajeev Ahuja |
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2:45pm - 3:05pm
Le mieux est l'enemi du bon; homology modelling with Phyre2 in a deep learning world Imperial College London, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=419
3:05pm - 3:25pm
Prediction of the atomic structure of two-dimensional materials on substrates 11 Moscow Institute of Physics and Technology, 9 Institutsky lane, Dolgoprudny 141701, Russian Federation; 2Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel Street, Moscow 121205, Russian Federation; 3Dukhov Research Institute of Automatics (VNIIA), Moscow 127055, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=420
3:25pm - 3:45pm
Nucleating different coordination in crystal under pressure: Study of B1-B2 transition in NaCl by metadynamics 1SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, 34136 Trieste, Italy; 2Department of Experimental Physics, Comenius University, Mlynská Dolina F2, 842 48 Bratislava, Slovakia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=421
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3:45pm - 5:15pm | MS-15: Integrative methodologies for novel thin film structures Location: 223-4 Session Chair: David Babonneau Session Chair: Baerbel Krause Invited: Jolien Dendooven (Belgium), Byeongdu Lee (USA) |
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3:45pm - 3:50pm
Introduction to session 3:50pm - 4:20pm
In situ study of noble metal atomic layer deposition processes using grazing incidence small angle X-ray scattering 1Ghent University, Dept. of Solid State Sciences, COCOON Group, Krijgslaan 281/S1, 9000 Gent, Belgium; 2ALBA Synchrotron Light Source, SWEET-NCD Beamline, Carrer de la Llum 2-26, 08290 Cerdanyola del Vallès, Spain; 3Synchrotron SOLEIL, SixS Beamline, L’Orme des Merisiers, Saint-Aubin, BP48, 91192 Gif-sur-Yvette, France; 4ESRF European Synchrotron, DUBBLE Beamline BM26, Avenue des Martyrs, CS40220, 38043 Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=139
4:20pm - 4:50pm
Symmetry-breaking in double gyroid block copolymer film 1Department of Chemical and Biomolecular Engineering, Yonsei University, Republic of Korea; 2KU-KIST Graduate School of Converging Science and Technology, Korea University, Republic of Korea; 3Advanced Materials Division, Korea Research Institute of Chemical Technology, Republic of Korea; 4Argonne National Laboratory, Lemont, United States of America; 5Department of Integrative Energy Engineering, Department of Biomicrosystem Technology, and KU Photonics Center, Korea University, Republic of Korea External Resource: https://www.xray.cz/iucrv/vidp.asp?id=140
4:50pm - 5:10pm
Growth studies of thin films with total scattering in real time 1Department of Chemistry & iNANO, Aarhus University, Aarhus C, Denmark; 2PETRA III, Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=141
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10:20am - 12:45pm | MS-22: Methods and software developments for magnetic-structure analysis Location: 223-4 Session Chair: J. Manuel Perez-Mato Invited: Juan Rodriguez-Carvajal (Spain), Václav Petříček (Czech Republic) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Jana2020 - Magnetic option Institute of Physics, ASCR, Praha, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=184
10:55am - 11:25am
Developments in FullProf for magnetic structures determination in superspace Institut Laue-Langevin, Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=185
11:25am - 11:45am
MagStREXS: a crystallographic software for magnetic structure determination through resonant X-ray magnetic diffraction data 1Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany; 2Institut Laue–Langevin (ILL), Grenoble, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=186
11:45am - 12:05pm
Asphericity of magnetisation density and anisotropy in rare-earth pyrochlores via polarized neutron diffraction and iterative entropy maximization LLB, CEA Saclay, Gif-sur-Yvette , France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=187
12:05pm - 12:25pm
Magnetic x-ray standing waves Deutsches Elektronen-Synchrotron (DESY), Hamburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=188
12:25pm - 12:45pm
Global optimization of magnetic structure analysis by semidefinite relaxation method 1Kyushu University, 744 Moto’oka, Nishi-Ward, Fukuoka, Japan; 2NISSAN ARC Ltd., 1 Natsushima-cho, Yokosuka, Kanagawa, Japan; 3High Energy Accelerator Research Organization, 203-1 Shirakata, Tokai, Naka, Ibaraki, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=189
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2:45pm - 5:10pm | MS-29: Texture, strain and structure in metals and ceramics Location: 223-4 Session Chair: David Rafaja Ivnited: Efthymios Polatidis (Switzerland), Jana Šmilauerová (Czech Republic) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Tailoring the TRIP effect of austenitic stainless steels with selective laser melting 1Paul Scherrer Institute, Villigen PSI, Switzerland; 2Empa – Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=226
3:20pm - 3:50pm
Phase transformation pathway in Ti-15Mo studied by in situ synchrotron x-ray diffraction Charles University, Prague, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=227
3:50pm - 4:10pm
Microsecond time resolved X-ray diffraction for the fast determination of fatigue behavior beyond one billion cycles Laboratoire PIMM, Arts et Métiers Institute of Technology, CNRS, HESAM Université, Paris, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=228
4:10pm - 4:30pm
Mechanisms of elastic-plastic deformation in magnesium alloy studied using neutron diffraction and crystallite group method 1AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Kraków, Poland; 2Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, Joliot-Curie 6, Dubna 141980, Russia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=229
4:30pm - 4:50pm
Texture and eco-piezoceramics 1Centro de Investigación en Materiales Avanzados, S.C., Chihuahua, Mexico; 2European Synchrotron Radiation Facility, Grenoble, France; 3Diamond Light Source, Didcot, UK; 4Universidad Autónoma de Chihuahua, Chih., México; 5Instituto de Ciencia de Materiales de Madrid, Madrid, Spain External Resource: https://www.xray.cz/iucrv/vidp.asp?id=230
4:50pm - 5:10pm
Superhardness in boron carbide through nanostructuration 1Sorbonne Université, CNRS, Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Paris, France.; 2Sorbonne Université, CNRS, Institut de Minéralogie, Physique des Matériaux et Cosmochimie (IMPMC), Paris, France.; 3Sorbonne Université, CNRS, Institut des Matériaux de Paris Centre (IMPC), Paris, France.; 4Sorbonne Université, Collège de France, CNRS, Chimie du Solide et de l'Energie (CSE), Paris, France. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=231
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10:20am - 12:45pm | MS-40: New applications of coherent scattering Location: 223-4 Session Chair: Ian Robinson Session Chair: Christian Gutt Invited: Johanned Ihli (Switzerland), Foivos Perakis (Sweden) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Molecular movies with X-ray photon correlation spectroscopy Physics Department, Stockholm University, Stockholm, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=301
10:55am - 11:25am
Visualizing the effect additives have on the nanostructure of individual bio-inspired calcite crystal 1Paul Scherrer Institute, Villigen PSI, Switzerland; 2University of Leeds; 3University of Sheffield; 4Argonne National Laboratory; 5University College London External Resource: https://www.xray.cz/iucrv/vidp.asp?id=302
11:25am - 11:45am
Cateretê: The Coherent X-ray Scattering Beamline at the 4th generation synchrotron facility SIRIUS Brazilian Synchrotron Light Laboratory (LNLS), Brazilian Center for Research in Energy and Materials (CNPEM) External Resource: https://www.xray.cz/iucrv/vidp.asp?id=303
11:45am - 12:05pm
Burning cups and donuts: what coherent X-rays can reveal about topological defects 1European Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, France; 2Tohoku University, Laboratory for Nanoelectronics and Spintronics, Sendai 980-8577, Japan; 3Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, NY 12180 Troy, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=304
12:05pm - 12:25pm
Coherent diffraction imaging at space-group forbidden reflections 1SIMaP, CNRS / Grenoble INP / Univ Grenoble Alpes, France; 2CEA, IRIG, France; 3ESRF, France; 4Diamond Light Source, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=305
12:25pm - 12:45pm
Machine Leaning approach to the phase problem in Bragg Coherent Diffraction Imaging University College, London, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=306
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10:20am - 12:45pm | MS-47a: Nanocrystalline materials I Location: 223-4 Session Chair: Cinzia Giannini Session Chair: Jinong Zhu Invited: Junliang Sun (China), Ulf Olsson (Sweden) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
The colloidal structure of a regenerated cellulose fiber 1Lund University, Lund, Sweden; 2Aalto University, Finland; 3University of Bari, Bari, Italy; 44Institute of Crystallography, CNR, Bari, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=343
10:55am - 11:25am
Structure determination of nanocrystals Peking University, Beijing, China, People's Republic of External Resource: https://www.xray.cz/iucrv/vidp.asp?id=344
11:25am - 11:45am
Thermal disorder and mechanical anisotropy in nanocrystals 1ISIS Neutron and Muon Facility, UKRI-Science and Technical Facility Council, Didcot, United Kingdom; 2Institute for Multiscale Simulation, Friedrich-Alexander University Erlangen-Nürnberg; 3Saudi Aramco Research & Development Center External Resource: https://www.xray.cz/iucrv/vidp.asp?id=345
11:45am - 12:05pm
Interplay between size, morphology, microstructure defects and optoelectronic properties of CdSe nanocrystals 1Institute of Materials Science, TU Bergakademie Freiberg, Germany; 2Institute of Particle Technology (LFG), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Germany; 3Interdisciplinary Center for Functional Particle Systems (FPS), Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Germany; 4Process Technology for Electrochemical Functional Materials and Center for Nanointegration Duisburg-Essen (CENIDE), University Duisburg-Essen, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=346
12:05pm - 12:25pm
Spinel ferrite nanoparticles in core shell architecture for heat release 1Department of Chemical and Geological Sciences, University of Cagliari, S.S. 554 bivio per Sestu, 09042 Monserrato (CA), Italy; 2Istituto di Chimica dei Composti OrganoMetallici - Consiglio Nazionale delle Ricerche (ICCOM-CNR), Via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy; 3Department of Condensed Matter Physics, Charles University, Ke Karlovu 5, 12116 Prague 2, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=347
12:25pm - 12:45pm
Monodisperse Cesium lead bromide perovskite nanocrystals (NCs) CsPbBr3 with bright and stable green photoluminescence for application light emitters devices. 1Laboratory of Physical Chemistry of Materials, Department of Chemistry, Faculty of Sciences, University Hassan II of Casablanca, Casablanca, Morocco; 2Department of Chemistry and Industrial Chemistry, University of Pisa, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=348
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2:45pm - 5:10pm | MS-55(47b): Nanocrystalline materials II Location: 223-4 Session Chair: Cinzia Giannini Session Chair: Jinong Zhu |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Picometer-level core-shell structure in Pd nanocrystals revealed by total scattering 1RIKEN SPring-8 Center, Hyogo 679-5148, Japan; 2JST, PRESTO, Saitama 332-0012, Japan; 3Nippon Gijutsu Center Co. Ltd, Hyogo 679-5148, Japan; 4Institute for Chemical Research, Kyoto University, Kyoto 611-0011, Japan; 5International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, Fukuoka 819-0395, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=384
3:20pm - 3:40pm
The journey from disorder to order: transformation of ferrite magnets investigated in situ by combined Bragg & total scattering analysis Aarhus University, Aarhus C, Denmark External Resource: https://www.xray.cz/iucrv/vidp.asp?id=385
3:40pm - 4:00pm
Millisecond structural dynamics during the piezoelectric cycle of silk fibroin by synchrotron X-ray scattering & comparison with DFT calculation 1Lund Institute for Advanced Neutron and X-ray Science, Lund 20503, Sweden; 2Heinz Maier-Leibnitz Zentrum (MLZ), Lichtenbergstrasse 1 85747, Garching, Germany; 3Australian Synchrotron, ANSTO, 800 Blackburn Rd, Clayton, 3168, Australia; 4Department of Materials Science and Applied Mathematics, Malmö University, SE-205 06 Malmö, Sweden; 5Division of Mechanics, Lund University, Box 118, 221 00 Lund, Sweden; 6School of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW, 2522, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=386
4:00pm - 4:20pm
A high-throughput method for combinatorial screening of metal nanoparticles using x-ray pair distribution function analysis 1Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA; 2Rowland Institute, Harvard University, Cambridge, MA, USA; 3Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=387
4:20pm - 4:40pm
Controlling crystallization pathways and kinetics in multiferroic Bi2Fe4O9 1University of Copenhagen, Department of Chemistry, Universitetsparken 5, DK-2100 Copenhagen, Denmark; 2Universität Bremen, Institut für Anorganische Chemie und Kristallographie, Leobener Straße 7 /NW2, D-28359 Bremen, Germany; 3PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, 22607, Hamburg, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=388
4:40pm - 5:10pm
Atomic pair distribution function analysis of goethite and/or hydroxyapatite functionalized cyclodextrin nanosponges 1Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027; 2Department of Inorganic Chemistry, University of Yaounde I, P.O. Box 812 Yaounde, Cameroon; 3Local Materials Promotion Authority (MIPROMALO), MINRESI, P.O Box 2396 Yaounde, Cameroon,; 4Department of Chemistry, University of Buea, P.O. Box 63 Buea, Cameroon; 5Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=389
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10:20am - 12:45pm | MS-63: Catalysis: functionalized materials studied by XRD and XAFS Location: 223-4 Session Chair: Valérie Briois Session Chair: Andreas Roodt Invited: Elisa Borfecchia (Italy), Ola F Wendt (Sweden) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Heterogenization of molecular catalysts: C–H activation and dehydrogenation Lund University, LUND, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=444
10:55am - 11:25am
Understanding local structure and redox chemistry of metal ions in nanoporous catalysts by X-ray absorption spectroscopy University of Turin, Turin, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=445
11:25am - 11:45am
XAS and XRD analysis of active Pt and Pd sites in metal-organic framework UiO-67 1Southern Federal University, Rostov-on-Don, Russian Federation; 2ESRF, Grenoble, France; 3University of Oslo, Oslo, Norway External Resource: https://www.xray.cz/iucrv/vidp.asp?id=446
11:45am - 12:05pm
Structural dynamics of nanoalloy catalysts for Fuel Cells by in situ total x-ray scattering Central Michigan University, Mount Pleasant, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=447
12:05pm - 12:25pm
The Hopeful Journey Towards Successful Tailoring Of Water (In)Soluble Cobalt Analogues As Potential Water Splitting Catalysts. 1Dept. of Chemistry, University of the Free State, Bloemfontein, 9300, South Africa; 2Dept. of Chemistry, University of Zürich, Winterthurerstrasse 190, Zürich, Switzerland. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=448
12:25pm - 12:45pm
Structural and bandgap modification of KLaTiO4 hydrogen evolution catalyst The University of Sydney, Sydney, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=449
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1:00pm - 2:30pm | ECA - SIG-12: ECA - SIG-12 Crystallography of Functional Materials Location: 223-4 |
2:45pm - 5:10pm | MS-72: New methods and strategies in NMR crystallography - in Honour of Francis Taulelle Location: 223-4 Session Chair: Martin Dracinsky Session Chair: David Bryce Invited: Sharon Ashbrook (UK), Lyndon Emsley (Switzerland) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Investigating disorder in A2B2O7 ceramics for waste encapsulation using NMR crystallography University of St Andrews, St Andrews, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=503
3:20pm - 3:50pm
Structure determination of amorphous molecular solids by NMR crystallography EPFL, Lausanne, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=504
3:50pm - 4:05pm
Anionic (dis)order and fluoride dynamics in complex transition metal oxyfluorides from NMR crystallography Northwestern University, Evanston, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=505
4:05pm - 4:20pm
NMR crystallography with microED 1RIKEN-JEOL Collaboration Center; 2JEOL RESONANCE Inc. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=506
4:20pm - 4:35pm
NMR-Assisted Crystallography: Imaging Active Site Chemistry with Protons University of California - Riverside, Riverside, California, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=507
4:35pm - 4:50pm
NMR assisted structure determination of coordination polymers 1Department of Chemistry, Iowa State University, Ames, IA 50010 USA; 2Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 USA; 3US DOE Ames Laboratory, Ames, Iowa, 50011, USA External Resource: https://www.xray.cz/iucrv/vidp.asp?id=508
4:50pm - 5:05pm
A Strategy for Determining the Atomic-Resolution Structure of Micro-/Nanocrystalline Composite Solids Institute of Macromolecular Chemistry CAS, Prague, Czech Republic External Resource: https://www.xray.cz/iucrv/vidp.asp?id=509
5:05pm - 5:20pm
A new NMR crystallographic protocol based on quadrupolar nuclei 1Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL, 32306; 2National High Magnetic Field Laboratory, Tallahassee, FL, 32310; 3Department of Chemistry and Biochemistry, University of Windsor, Windsor, ON, Canada N9B3P4 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=510
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10:20am - 12:45pm | MS-77(71b): Disordered materials: spectroscopic and scattering techniques II Location: 223-4 Session Chair: Simon Billinge Session Chair: Angela Trapananti Invited: Lars G. M. Pettersson (Sweden), Maxwell Terban (Germany) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
SpecSwap-RMC: A Generalized RMC Approach to Structure, Combining Scattering and Spectroscopic Data Stockholm University, Stockholm, Sweden External Resource: https://www.xray.cz/iucrv/vidp.asp?id=535
10:55am - 11:25am
Developing more precise structural descriptions of layered covalent organic frameworks using total scattering data 1Max Planck Institute for Solid State Research, Stuttgart, Germany; 2Department of Chemistry, Ludwig- Maximilians-Universität (LMU), Munich, Germany; 3Exzellenzcluster E-conversion, Garching, Germany and Center for NanoScience, Munich, Germany External Resource: https://www.xray.cz/iucrv/vidp.asp?id=536
11:25am - 11:45am
Order-disorder transitions in battery electrodes studied by operando X-ray scattering University of Southern Denmark, Odense M, Denmark External Resource: https://www.xray.cz/iucrv/vidp.asp?id=537
11:45am - 12:05pm
Insight into the structure of SiO2-supported Ni-Ga nanoparticles for catalytic application via X-ray absorption spectroscopy and total scattering ETH Zurich, Zurich, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=538
12:05pm - 12:25pm
Tuneable Local Structure in Thermoelectric Crystals University of Oxford, Oxford, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=539
12:25pm - 12:45pm
Structure of complex aluminosilicate oxide-glasses: the role of zinc intermediate element. 1University of Milan, Milano, Italy; 2ESRF The European Synchrotron, Grenoble, France; 3ISIS Pulsed Neutron and Muon Source, Didcot, UK; 4ALBA Synchrotron, Barcelona, Spain; 5University of Torino, Torino, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=540
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2:45pm - 5:10pm | MS-82: Handling of big data in crystallography Location: 223-4 Session Chair: Wladek Minor Session Chair: Brinda Vallat |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
IRRMC (https:// proteindiffraction.org): Impact on quality of structures in PDB UNIVERSITY OF VIRGINIA, Charlottesville, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=570
3:20pm - 3:50pm
A Gold Standard for the archiving of macromolecular diffraction data 1Ronin Institute for Independent Scholarship, c/o NSLS II, Brookhaven National Laboratory, Upton, NY, USA; 2DECTRIS Ltd., Täfernweg 1,5405 Baden-Dättwil, CH; 3Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA; 4Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK External Resource: https://www.xray.cz/iucrv/vidp.asp?id=571
3:50pm - 4:15pm
Data evaluation on the fly: Auto-Rickshaw at the MX beamlines of the Australian Synchrotron Australian Synchrotron, ANSTO, Clayton, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=572
4:15pm - 4:40pm
Rapid response to biomedical challenges and threats 1University of Virginia, Charlottesville, United States of America; 2A. Mickiewicz University, Poznan, Poland; 3National Cancer Institute, United States of America; 4University of Warsaw, Warsaw, Poland; 5Poznan University of Technology, Poznan, Poland; 6k.-k Hofkristallamt, United States of America; 7Polish Academy of Sciences, Poland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=573
4:40pm - 5:05pm
Development of an on-the-fly data processing with information-lossless compression for CITIUS detectors at SPring-8 1RIKEN SPring-8 Center, Hyogo, Japan; 2Japan Synchrotron Radiation Research Institute, Hyogo, Japan External Resource: https://www.xray.cz/iucrv/vidp.asp?id=574
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10:20am - 12:45pm | MS-95: Advanced methods for analysis of XAFS and crystallographic data Location: 223-4 Session Chair: Marco Giorgetti Session Chair: Paula Macarena Abdala Invited: Paola D'angelo (Italy), Rocco Caliandro (Italy) |
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10:20am - 10:25am
Introduction to session 10:25am - 10:55am
Multivariate analysis of X-ray diffraction and XAFS data 1Institute of Crystallography, CNR, via Amendola 122/o, 70126, Italy; 2Dipartimento di Ingegneria Elettrica e dell'Informazione, Politecnico di Bari, via Orabona 4, Bari, 70125, Italy; 3Dipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, viale T. Michel 11, Alessandria, 15121, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=639
10:55am - 11:25am
Advanced methods for the study of chemical systems by X-ray Absorption Spectroscopy University of Rome La Sapienza, Rome, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=640
11:25am - 11:45am
Analysis of XANES spectra for tektites using machine learning algorithms 1The Smart Materials Research Institute, Southern Federal University, 344090 Rostov-on-Don, Russia; 2Department of Chemistry, INSTM Reference Center and NIS and CrisDi Interdepartmental Centers, University of Torino, 10125 Torino, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=641
11:45am - 12:05pm
Treatment of disorder effects in X-ray absorption spectra by reverse Monte-Carlo simulations: CuMoO4 case Institute of Solid State Physics, University of Latvia, Riga, Latvia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=642
12:05pm - 12:25pm
Novel advanced methods in XAS – XERT and Hybrid Techniques University of Melbourne, Parkville, Australia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=643
Machine learning applied to operando XANES spectroscopy for Pd nanocatalysts 1The Smart Materials Research Institute of Southern Federal University; 2Federal State Budgetary Institution of Science "Federal Research Centre The Southern Scientific Centre of The Russian Academy of Sciences" External Resource: https://www.xray.cz/iucrv/vidp.asp?id=644
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2:45pm - 5:10pm | MS-103: XAS and crystallography allied for geomaterials and environmental problems Location: 223-4 Session Chair: J. Fred Mosselmans Session Chair: Annalisa Martucci Invited: Giuseppe Cruciani (Italy), Georgia Cametti (Switzerland) |
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Immobilization and removal of hazardous elements by geomaterials: the harder and the softer solutions University of Ferrara, Ferrara, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=103
3:20pm - 3:50pm
Combining X-ray diffraction, X-ray absorption spectroscopy, and molecular dynamics simulations to probe metals in zeolites: the case of intergrown Cd2+-LEV/ERI 1Bern Universität, Bern, Switzerland; 2The Rossendorf Beamline at the European Synchrotron Radiation Facility (ESRF), Avenue des Martyrs 71, 38043 Grenoble, France; 3Helmholtz Zentrum Dresden Rossendorf, Institute of Resource Ecology, Bautzner Landstrasse 400, 01328, Dresden, Germany; 4Paul Scherrer Institut, Forschungstrasse 111, 5232, Villingen PSI, Switzerland External Resource: https://www.xray.cz/iucrv/vidp.asp?id=104
3:50pm - 4:10pm
Adsorption and degradation mechanisms of perfluoroalkyl substances (PFAS) on Ag-exchanged FAU-type zeolite studied by in situ synchrotron X-ray diffraction and thermal analysis/isotope ratio mass spectrometry. 1Department of Physics and Earth Sciences, University of Ferrara, Via Saragat 1, I-44121, Ferrara, Italy.; 2Elettra-Sincrotrone Trieste S.C.p.A., Materials Characterisation By X-ray diffraction (MCX) Beamline, Strada Statale 14 - km 163,5 in AREA Science Park, Basovizza, Trieste, Italy. External Resource: https://www.xray.cz/iucrv/vidp.asp?id=105
4:10pm - 4:30pm
Revealing the lifelong bio-persistent crystal structure of an asbestos fibre 1aEuropean Synchrotron Radiation Facility, 71, Avenue Des Martyrs, Grenoble, 38040, France; 2bDepartment of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Modena, 41121, Italy; 3cDepartment of Sciences and Methods for Engineering, University of Modena and Reggio Emilia, Via Amendola, 2, Reggio Emilia, 42122, Italy; 4Pathology Unit, Azienda Unità Sanitaria Locale - IRCCS, Reggio Emilia, Italy; 5Istituto di Cristallografia, CNR, Via Amendola, 122/o, Bari, 70126, Italy External Resource: https://www.xray.cz/iucrv/vidp.asp?id=106
4:30pm - 4:50pm
Mechanisms of structural reordering during thermal transformation of aluminogermanate imogolite nanotubes 1Laboratoire de Physique des Solides, CNRS, université Paris-Saclay, Orsay, France; 2Synchrotron SOLEIL, Saint-Aubin, France External Resource: https://www.xray.cz/iucrv/vidp.asp?id=107
4:50pm - 5:10pm
Evolution of the wall-crystal interface as witness of the heterogeneous nucleation and growth of Naica’s giant crystals 1Centro de Investigación en Materiales Avanzados, Chihuahua, Mexico; 2Universidad Autónoma de Chihuahua, Chihuahua, Mexico; 3Universidad La Salle Chihuahua, Chihuahua, Mexico; 4Elettra Sincrotrone-Trieste, Basovizza, Italy; 5CONACYT-Universidad nacional Autónoma de México, Hermosillo, Mexico; 6Instituto de Ciencia de Materiales de Madrid, Madrid, Spain External Resource: https://www.xray.cz/iucrv/vidp.asp?id=108
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