XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
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).
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Session Overview |
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Poster - 55 XAFS: XAFS
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ID: 1982
/ Poster - 55 XAFS: 1
Poster session abstracts Poster Poster session abstracts ID: 893
/ Poster - 55 XAFS: 2
All topics Oral/poster MS: New applications of coherent scattering, Advanced methods for analysis of XAFS and crystallographic data Keywords: Complex Atomic Form Factor, X-ray Absorption Fine Structure, X-ray Complex Fine Structure, Fourier Transform Holography Complex atomic fine structure in the phase domain: exciting opportunities and challenges 1Department of Chemistry and Physics, La Trobe University, Bundoora, Victoria, Australia; 2School of Physics, University of Melbourne, Parkville, Victoria, Australia; 3XFM beamline, Australian Synchrotron, ANSTO, Clayton, Victoria, Australia External Resource:
 ID: 1312
/ Poster - 55 XAFS: 3
Methods and instruments Oral/poster MS: Advanced methods for analysis of XAFS and crystallographic data Keywords: Dispersion, Absorption Edge, Synchrotron Dispersion Refinements in the Range of Absorption Edges 1Universität Regensburg, Fakultät für Chemie und Pharmazie, Universitätsstr. 31, 93053 Regensburg, Germany; 2OlexSys Ltd, Chemistry Department, Durham University, DH1 3LE, UK; 3Université de Lorraine, CNRS, CRM2, 54000 Nancy, France; 4Department of Mathematical Sciences, Durham University, DH1 3LE, UK; 5Rossendorf Beamline (BM20-CRG), European Synchrotron Radiation Facility, 71, Avenue des Martyrs, 38043 Grenoble, France External Resource:
ID: 425
/ Poster - 55 XAFS: 4
Bursary application Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Advanced methods for analysis of XAFS and crystallographic data, XAS and crystallography allied for geomaterials and environmental problems, Catalysis: functionalized materials studied by XRD and XAFS Keywords: IUCr2020; XAFS; self-absorption; fluorescence Solving Self-Absorption in Fluorescence University of Melbourne, Parkville, Australia Bibliography
[1] R. M. Trevorah, et al., IUCr J, 6, 586 (2019) [2] R. M. Trevorah, et al., J. Phys. Chem. A, 124, 8, 1634 (2020) [3] C. T. Chantler, et al., J. Synchrotron Radiat. 22, 1008 (2015). External Resource:
ID: 227
/ Poster - 55 XAFS: 5
Bursary application Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, Advanced methods for analysis of XAFS and crystallographic data, XAS and crystallography allied for geomaterials and environmental problems Keywords: EXAFS; XRD; Pd; catalyst; metal-organic framework; CO2. X-ray absorption spectroscopy study of metal-organic frameworks functionalized by Pd: Formation and growth of Pd nanoparticles Southern Federal University, Rostov-on-Don, Russian Federation Bibliography
•Bugaev, A. Guda, K. Lomachenko, E. Kamyshova, et al. Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons. Faraday Discus., 2018. DOI: 10.1039/c7fd00224f •Bugaev, V. Polyakov, A. Tereshchenko, A. Isaeva, A. Skorynina, E. Kamyshova, et al. Chemical synthesis and characterization of Pd/SiO2: the effect of chemical reagent. Metals, 2018. DOI: 10.3390/met8020135 •E. Kamyshova, A. Skorynina, A. Bugaev, C. Lamberti, A. Soldatov. Formation and growth of Pd nanoparticles in UiO-67 MOF by in situ EXAFS. Radiat. Phys. Chem., 2019 (in press) DOI: 10.1016/j.radphyschem.2019.02.003 •Aram L. Bugaev, Alina A. Skorynina, Elizaveta G. Kamyshova, Kirill A. Lomachenko, Alexander A. Guda, Alexander V. Soldatov, Carlo Lamberti. “In situ X-ray absorption spectroscopy data during formation of active Pt- and Pd-sites in functionalized UiO-67 metal-organic frameworks”. Data in Brief, Volume 25, August 2019. https://doi.org/10.1016/j.dib.2019.104280 •Bugaev, K. Lomachenko, A. Guda, E. Kamyshova, et. al. Formation of metal nanoparticles inside UiO-67 metal-organic framework by in situ and operando X-ray absorption and diffraction 17th International conference on X-ray absorption fine structure XAFS-2018, 22-27 July 2018. Poster II-10. •“X-ray absorption spectroscopy study of metal-organic frameworks functionalized by Pd for catalytic hydrogenation of CO2 (Рентгеновская абсорбционная спектроскопия металл-органических каркасов, функционализированных Pd, для каталитического гидрирования CO2)” Kamyshova E., Skorynina A., Bugaev A.L., Soldatov A. Book of abstract «XI International Conference Mechanisms of Catalytic Reactions». October 7-11 2019. •“The formation and growth of palladium nanoparticles in the metal-organic UiO67 framework structure according to in situ X-ray absorption spectroscopy” Kamyshova Elizaveta, A. Skorynina, A. Bugaev, A. Soldatov, C Lamberti. Book of abstract «1st International School on Advanced Porous Materials”. June 17-21 2019. •“In situ Спектроскопии рентгеновского поглощения по данным для исследования локальной атомной структуры МОК UiO-67 функционализированной Pd” Kamyshova E. Book of abstract «All-Russian Scientific Conference of Physics Students XXV» April 19-26, 2019. •“The formation and growth of palladium nanoparticles in the metal-organic frame structure of UiO-67 according to in situ X-ray absorption spectroscopy” E. G. Kamyshova, A. L. Bugaev, A. A. Skorynina, A. V. Soldatov, K. Lamberti. Book of abstract “LIII PNPI Condensed Matter Physics”. March 11-16, 2019. •“Formation of active Pd-sites in UiO-67 metal-organic frameworks” Kamyshova Elizaveta, A. Skorynina, A. Bugaev1, A. Soldatov, C Lamberti. Book of abstract: “THE 7th INTERNATIONAL SCHOOL FOR YOUNG RESEARCHERS “SMART NANOMATERIALS”. WORKSHOP “DESIGN OF POLYFUNCTIONAL STRUCTURES: THEORY AND SYNTHESIS”. October 23-26 2018. •“Formation of metal nanoparticles inside UiO-67 metal-organic framework by in situ and operando X-ray absorption and diffraction” A. Bugaev, K. Lomachenko, A. Guda, E. Kamyshova, et al Book of abstract «17th International conference on X-ray absorption fine structure» XAFS-2018. June 22-27 2018 г. •“Formation of palladium nanoparticles inside UiO-67 according to in situ x-ray absorption spectroscopy” A.L. Bugaev, A.A. Guda, K.A. Lomachenko, E. Kamyshova, M.A Soldatov, G. Kaur, S. Øien-Ødegaard, L. Braglia, A. Lazzarini, M. Manzoli, S. Bordiga, U. Olsbye, K. Petter Lillerud, A.V Soldatov and C. Lamberti Book of abstract “International Workshop for young researchers “Smart Materials & Mega-Scale Research Facilities”. April 23, 2018 г. •“The formation and growth of palladium nanoparticles in the metal-organic frame structure of UiO-67 according to in situ X-ray absorption spectroscopy” E. G. Kamyshova, A. L. Bugaev, A. A. Skorynina, A. V. Soldatov, K. Lamberti. Book of abstract “LIII PNPI Condensed Matter Physics”. March 11-16, 2019 •“Analysis of palladium nanoparticles according to transmission electron microscopy in the ImageJ software package” Kamyshova E.G. Publication in the collection of abstracts “XIII Annual Youth Scientific Conference of Students, Graduate Students and Young Scientists“ Research and Development of Advanced Scientific Directions ”. April 17–27, 2017 •“Transmission electron microscopy analysis of palladium nanoparticles using ImageJ”. E. G. Kamyshova. Book of abstract “IWSN2017, THE 6thI NTERNATIONAL SCHOOL FOR YOUNG RESEARCHERS “SMARTNANOMATERIALS”. September 15, 2017 г. •“Dependance of palladium nanoparticles size on synthesis condition”. Bugaev A.L., Tereschenko A.A., Isaeva A.N., Skorynina A.A., Usoltsev O.A, et al. Book of abstract “IWSN2017, THE 6thI NTERNATIONAL SCHOOL FOR YOUNG RESEARCHERS “SMARTNANOMATERIALS”. September 15, 2017 г. •“Core-shell structure of nanoparticles in palladium carbide” O.A. Usoltsev, A.L. Bugaev, A.A. Scorynina, A.A. Tereschenko, A.N. Isaeva, S.V. Doronkina, E. G. Kamishova. Book of abstract “IWSN2017, THE 6thI NTERNATIONAL SCHOOL FOR YOUNG RESEARCHERS “SMARTNANOMATERIALS”. September 15, 2017 г. •“Dark-field transmission electron microscopy for nanoparticle analysis” Kamyshova E.G. Program and abstracts of the 69th student scientific conference of the Faculty of Physics. 2017 (printed book) External Resource:
ID: 891
/ Poster - 55 XAFS: 6
All topics Oral/poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering, New applications of coherent scattering, Advanced methods for analysis of XAFS and crystallographic data Keywords: XAFS, Diffuse Scattering, Zinc Selenide, Crystal Structure Determination, Powder Diffraction High accuracy determination of photoelectric crosssections, X-ray Absorption Fine Structure and nanostructure analysis of zinc selenide using the X-rayExtended Range Technique 1University of Melbourne, Melbourne , Australia; 2La Trobe University; 3Australian Nuclear Science and Technology Organisation External Resource:
ID: 540
/ Poster - 55 XAFS: 7
Bursary application Oral/poster MS: X-ray spectrometry and X-ray diffraction in art and archaeology, XAS and crystallography allied for geomaterials and environmental problems, Energy Materials Special sessions: Introduction to machine learning Keywords: LiCoPO4, MOF, XRD, XAS, PCA. Facile synthesis of nano-structure LiCoPO4@UiO-66 particles and its in-situ XAS, structural properties and electrochemical characterization for lithium batteries Southern federal university, Rostov on-Don, Russian Federation Bibliography
1-A.M. Aboraia, A.A.A. Darwish, V. Polyakov, E. Erofeeva, V. Butova, Heba Y. Zahran, Alaa F. Abd El-Rehim, Hamed Algarni, I.S. Yahia, Alexander V. Soldatov, Structural characterization and optical properties of zeolitic imidazolate frameworks (ZIF-8) for solid-state electronics applications, optical materials, 100(2020)109648. 2-Igor L.Shukaev, Vera V.Butova, Sergey V.Chernenko, Andrey A.Pospelov, Victor V.Shapovalov, Alexander A.Guda, Abdelaziz M.Aboraia, Heba Y.Zahran, Ibrahim S.Yahia, Alexander V.Soldatov, New orthorhombic sodium iron(+2) titanate, Ceramics International 46 (2020) 4416–4422. 3-Abdelaziz M. Aboraia, V.V.Shapovalov, K.Vetlitsyna-Novikova, A.A.Gud, V.V.Butova, H.Y.Zahran, I.S.Yahia, A.V.Soldatov, First-principle calculation for inherent stabilities of LixCoPO4, NaxCoPO4, and the mixture LixNayCoPO4, Journal of Physics and Chemistry of Solids, Volume 136, January 2020, 109192. 4-Vera V.Butova, Vladimir A.Polyakov, Elena A.Bulanova, Mikhail A.Soldatov, Ibrahim S.Yahia, Heba Y.Zahran, Alla F.Abd El-Rehim, HamedEl Garni, Abdelaziz M.Aboraia, Alexander V.Soldatov, MW synthesis of ZIF-65 with a hierarchical porous structure, Microporous and Mesoporous Materials,293 (2020) 109685. 5-A.A.A.Darwish, A.M.Aboraia, Alexander V.Soldatov, I.S.Yahia, Deposition of Rhodamine B dye on flexible substrates for flexible organic electronics and optoelectronic: Optical spectroscopy by Kramers-Kronig analysis, Optical Materials, Volume 95, September 2019, 109219. 6-Vera V.Butova, Elena A.Bulanova, Vladimir A.Polyakov, Alexander A.Guda, Abdelaziz M.Aboraia, Viktor V.Shapovalov, Heba Y.Zahran, Ibrahim S.Yahia, Alexander V.Soldatov, The effect of cobalt content in Zn/Co-ZIF-8 on iodine capping properties, Inorganica Chimica Acta, Volume 492, 24 June 2019, Pages 18-22. 7-M. Aslam Manthrammel, A.M.Aboraia, Mohd Shakir, I.S. Yahia, Mohammed A. Assirif, H.Y. Zahran, V. Ganesh, S. AlFaify, Alexander V. Soldatov, Optical analysis of nanostructured rose bengal thin films using Kramers–Kronig approach: New trend in laser power attenuation, Optics and Laser Technology 112 (2019) 207–214 8-Assiri, M.A., Aslam Manthrammel, M., Aboraia, A.M., Yahia, I.S., Zahran, H.Y., Ganesh, V., Shakir, M., AlFaify, S., Soldatov, A.V, Kramers–Kronig calculations for linear and nonlinear optics of nanostructured methyl violet (CI-42535): New trend in laser power attenuation using dyes, Physica B: Condensed Matter, 552(2019), 62-70. 9-V.V. Shapovalov, A.A. Guda, N.V. Kosova, S.P. Kubrin, O.A. Podgornova, A.M.Aboraia, C. Lamberti, A.V. Soldatov Soldatov, Laboratory operando Fe and Mn K-edges XANES and Mössbauer studies of the LiFe0.5Mn0.5PO4 cathode material, Radiation Physics and Chemistry in press 10- M.A., Martini, A., Bugaev, A.L., Pankin, I., Medvedev, P.V., Guda, A.A., Aboraia, A.M., Podkovyrina, Y.S., Budnik, A.P., Soldatov, A.A., Lamberti, C, The insights from X-ray absorption spectroscopy into the local atomic structure and chemical bonding of Metal-organic frameworks, Polyhedron,155 (2018), 232-253. 11-Butova, V.V., Polyakov, V.A., Budnyk, A.P., Aboraia, A.M., Bulanova, E.A., Guda, A.A., Reshetnikova, E.A., Podkovyrina, Y.S., Lamberti, C., Soldatov, A.V. Zn/Co ZIF family: MW synthesis, characterization, and stability upon halogen sorption, Polyhedron,154(2018), 457-464. External Resource:
ID: 492
/ Poster - 55 XAFS: 8
Bursary application Oral/poster MS: Stimuli-responsive crystalline compounds, Advanced methods for analysis of XAFS and crystallographic data Keywords: Valence tautomerism, spatial mapping, cobalt complexes, X-ray diffraction, X-ray absorption Mapping the thermo-induced valence tautomerism in Cobalt dioxolane single crystals 1Physics department, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG - Brazil; 2Chemistry department, Universidade Federal do Espírito Santo, Espírito Santo, ES - Brazil; 3European XFEL, Holzkoppel 4, 22869 Schenefeld, Germany; 4Department of Chemistry, North Carolina State University, Raleigh, NC 27695‐8204, USA; 5Laboratoire de Spectroscopie Ultrarapide, ISIC-FSB-BSP, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland Bibliography
Samara, Y. N., Brennan, H. M., McCarthy, L., Bollard, M. T., Laspina, D., Wlodek, J. M., ... Soares, A. S., Leroy, L* (2018). Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallographica Section D: Structural Biology, 74(10), 986-999. Leroy, L., Barbosa, J. A. R. G., de Prat‐Gay, G., Polikarpov, I., & Pinheiro, C. B. (2020). The structure of the extended E2 DNA‐binding domain of the bovine papillomavirus‐1. Proteins: Structure, Function, and Bioinformatics, 88(1), 106-112. External Resource:
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