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).
Please note that all times are shown in the time zone of the conference. The current conference time is: 20th Apr 2024, 08:06:05am CEST
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Session Overview | |
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Location: Club C 50 1st floor |
| Date: Sunday, 15/Aug/2021 | |
| 10:20am - 12:45pm | MS-4: Quantum crystallography challenges and newest accomplishments Location: Club C Session Chair: PIERO MACCHI Session Chair: Dietmar Stalke Invited: Alessandro Genoni (France), Nicolas Claiser (France) |
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10:20am - 10:25am
ID: 1734 / MS-4: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 778 / MS-4: 2 General interest Invited lecture to session MS: Quantum crystallography challenges and newest accomplishments Keywords: X-ray restrained wavefunction, quantum crystallography, valence bond theory Multi-determinant X-ray restrained wavefunction approaches CNRS & University of Lorraine, Metz, France External Resource:
 10:55am - 11:25am
ID: 921 / MS-4: 3 General interest Invited lecture to session MS: Quantum crystallography challenges and newest accomplishments Keywords: charge, spin density, joint refinement, orbital model. Spin resolved charge density and wave function refinements: the Mollynx/MoPro software 1Université de Lorraine and CNRS, CRM2, BP 70239, 54506 Vandœuvre-lès-Nancy, France; 2Laboratoire Léon Brillouin, CEA-CNRS, CE-Saclay, 91191 Gif-sur-Yvette, France; 3URMACETS, Département de Physique, Université de Dschang, BP 67 Dschang, Cameroun.; 4Institut für Materialchemie, TU Wien, Getreidemarkt 91060 Wien, Austria External Resource:
11:25am - 11:45am
ID: 473 / MS-4: 4 General interest Oral/poster MS: Quantum crystallography challenges and newest accomplishments Keywords: Density matrices, Temperature smearing, Compton scattering, X-Ray diffraction N-representable one-electron reduced density Matrices reconstruction at non-zero temperatures. 1CentraleSupélec (Paris-Saclay University), Gif-sur-Yvette, France; 2Structures, Properties and Modeling of Solids, CentraleSupélec (Paris-Saclay University), Gif-sur-Yvette, France External Resource:
11:45am - 12:05pm
ID: 793 / MS-4: 5 All topics Oral/poster MS: Quantum crystallography in materials science, Quantum crystallography research, Quantum crystallography challenges and newest accomplishments Keywords: Hirshfeld atom refinement, extremely localized molecular orbitals, embedding methods, multi-scale techniques Accurate refinement of hydrogen atoms positions through a quantum mechanical embedding scheme based on extremely localized molecular orbitals University of Lorraine & CNRS, Metz, France External Resource:
12:05pm - 12:25pm
ID: 443 / MS-4: 6 Bursary application Oral/poster MS: Quantum crystallography challenges and newest accomplishments Keywords: heavy atoms, charge density, quantum crystallography, relativistic effects Relativistic Hirshfeld atom refinement of organo-gold(I) and organo-mercury(II) compounds. 1Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Poland.; 2University of Bern, Department of Chemistry and Biochemistry, Freiestrasse 3, 3012 Bern, Switzerland. Bibliography
List of publications: 1.Pawlędzio Sylwia; Makal Anna; Plażuk Damian; Woźniak Krzysztof; Experimental charge density of ferrocenyl derivative of β-lactam, Journal of Molecular Structure 2020,128274. 2.Bieszczad Bartosz; Pawlędzio Sylwia; Polak Katarzyna; Antonowicz Jerzy; Mieczkowski Adam; Trzybiński Damian; Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide, CrystEngComm 2020, 22, 32, 5389–5399. 3. S. Pawlędzio , D. Trzybiński, K. Woźniak, Crystal structure and energetic features of the cocrystal of carbamazep ine with 3,5 dinitrobenzoic acid, Acta Crystallographica. Section C 2019, 75, 1150–1156 4. M. Glodek, S. Pawlędzio , A. Makal, D. Plażuk, The impact of crystal packing and aurophilic interactions on the luminescence properties in polymorphs and solvate of aroylacetylideg old(I) complexes, Chemistry A European Journal 2019, 25, 13131–13145. 5. A. Harchani, D. Trzybiński, S. Pawlędzio, K. Woźniak, A. Haddad, Crystallographic and computational studies of a new organoarsenate compound: o‐anisidinium dihydroarsenate, Acta Crystallographica. Section C 2019, 75, 128–134. 6. A. Szyszkowska, K. Hęclik, S. Pawlędzio, D. Trzybiński, K. Woźniak, A. Klasek, I. Zarzyka, Unprecedented reaction course of 1-phenyl-2H,6H-imidazo[1,5-c]quinazoline-3,5-dione with 3-M excess of ethylene oxide, Structural Chemistry 2019, 30, 1–16. 7. A. Harchani, D. Trzybiński, S. Pawlędzio, K. Woźniak, A. Haddad, The new heteropolyoxometalate compound (C6H8N)5[HAs2Mo6O26(H2O)]3H2O: crystal structure and Hirshfeld surface analysis, Acta Crystallographica. Section C 2018, 74, 1088–1093. 8. S. Pawlędzio , A. Makal, D. Trzybiński, K. Woźniak, Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen, IUCrJ 2018, 5, 841 853. 9. A. Szyszkowska, A. Klasek, S. Pawlędzio, D. Trzybiński, K. Woźniak, I. Zarzycka, New diols with imidazoquinazoline ring, Journal of Molecular Structure 2017, 1153, 230–238. 10. D. Plażuk, A. Wieczorek, W. Ciszewski, K. Kowalczyk, A. Błauż, S. Pawlędzio, A. Makal, C. Eurtivong, H. Arabshahi, J. Reynisson, C. Hartinger, B. Rychlik, Synthesis and in vitro Biological Evaluation of Ferrocenyl Side-Chain-Functionalized Paclitaxel Derivatives, ChemMedChem 2017, 12, 1882–1892. List of conference papers: 1. S. Pawlędzio, A. Makal, D. Trzybiński, K. Woźniak, Crystal structure and reconstruction of charge density of 9-aminoacridine hemihydrate, Acta Crystallographica. Section A 2018, 74(a2), e298–e299. 2. S. Pawlędzio, A. Makal and K. Wozniak, „Examination of the intermolecular aurophilic interactions in the crystals of the (ArCOC=C)(PEt3)Au and [(ArCOC=C)2Au]–[Au(PEt3)2]+ complexes”, Acta Cryst. (2019). A75, e504. External Resource:
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| 2:45pm - 5:10pm | MS-13: Porous framework materials for gas adsorption/separation Location: Club C Session Chair: Angiolina Comotti Session Chair: Ryotaro Matsuda Invited: Michael Zaworotko (Ireland) , Catharine Esterhuysen (South Africa) |
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2:45pm - 2:50pm
ID: 1743 / MS-13: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 378 / MS-13: 2 Materials and minerals Invited lecture to session MS: Porous framework materials for gas adsorption/separation Keywords: sorbent; ultramicropore; carbon capture, ethylene purification; water harvesting Crystal Engineering of Ultramicroporous Materials University of Limerick, Limerick, Ireland External Resource:
3:20pm - 3:50pm
ID: 391 / MS-13: 3 Chemical crystallography, crystal structures Oral/poster MS: Stimuli-responsive crystalline compounds, Porous framework materials for gas adsorption/separation, Non-covalent interactions in crystal engineering, Function and application of porous crystals Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Porous compounds, Computational chemistry, Noncovalent interactions The role of noncovalent interactions in the properties of porous compounds Stellenbosch University, Stellenbosch, South Africa External Resource:
3:50pm - 4:10pm
ID: 1283 / MS-13: 4 All topics Oral/poster MS: Porous framework materials for gas adsorption/separation Keywords: mesoporous materials; physisorption; in situ; ASAXS; XANES Direct observation of the xenon physisorption process in mesopores by combining in situ Anomalous Small-Angle X‑ray Scattering and X‑ray Absorption Spectroscopy 1Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin, Germany; 2Institut für Chemie, Humboldt-Universität zu Berlin, Berlin, Germany; 3Physikalisch-Technische Bundesanstalt (PTB), 10587 Berlin, Germany; 4Institut für Physik, Humboldt-Universität zu Berlin, Germany; 5Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Germany. External Resource:
4:10pm - 4:30pm
ID: 107 / MS-13: 5 Chemical crystallography, crystal structures Oral/poster MS: Dynamic frameworks, Porous framework materials for gas adsorption/separation Keywords: porous materials, crystal engineering, coordination networks, physisorption, ethylene purification Crystal engineered hybrid ultramicroporous materials for single-step ethylene purification from C2-CO2 ternary mixture 1Department of Chemistry, Technical University of Munich, Lichtenbergstrasse 4, 85748 Garching b. Munich, Germany; 2Bernal Institute, Department of Chemical Sciences, University of Limerick, Limerick V94 T9PX, Republic of Ireland External Resource:
4:30pm - 4:50pm
ID: 767 / MS-13: 6 Chemical crystallography, crystal structures Oral/poster MS: Porous framework materials for gas adsorption/separation Keywords: Porous Materials, MOFs, Carbon dioxide, Gas Sorption Gas adsorption and separation: tuning the channel electrostatics for CO2. University of Milano-Bicocca, Milano, Italy External Resource:
ID: 692
/ MS-13: 7
Bursary application Poster MS: Porous framework materials for gas adsorption/separation Posters only: Porous materials Keywords: MOF, CO2 adsorption, synchrotron XRPD, host-guest interaction, Rietveld refinement Elucidation of CO2 adsorption process in a bis-pyrazolate based MOF through HR-PXRD 1University of Milan, Milan, Italy; 2Università degli studi dell'Insubria, Como, Italy Bibliography
1) Terruzzi S., Grell T., Colombo V. “Metal-organic frameworks: spugne molecolari al servizio della sostenibilità”, la Chimica e l’Industria online – special issue: Cristallografia: da scienza antica a moderna tecnologia, anno IV, n. 5, settembre/ottobre 2020 2) Terruzzi S., Bellomi S., Barreca G., Ventimiglia G. and Masciocchi N. “Disclosing the rich crystal chemistry of Lesinurad by ab-initio laboratory X-ray powder diffraction methods”, Cryst. Growth Des. 2018, 18, 6863−6872 3) Terruzzi S., Vismara R., Galli S., Colombo V. "Elucidation of CO2 adsorption process in a bis-pyrazolate based MOF by in-situ synchrotron X-ray diffraction", manuscript in preparation 4) Terruzzi S., Colombo V., Navarro J. A., Sironi A. “Modulation of structural and adsorptive properties of solid solutions of [Ni8(OH)4(H2O)2(BDP)6x(BDP_SO3H)6(1-x)]”, manuscript in preparation External Resource:
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| Date: Monday, 16/Aug/2021 | |
| 10:20am - 12:45pm | MS-20: Dynamic frameworks Location: Club C Session Chair: Christopher SUMBY Session Chair: Michael John Zaworotko Invited: Hoi Ri Moon (Republic of Korea), Yao Chen (China) |
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10:20am - 10:25am
ID: 1749 / MS-20: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1194 / MS-20: 2 Chemical crystallography, crystal structures Invited lecture to session MS: Dynamic frameworks Keywords: Metal-organic framework, Flexibility, Isotope Separation Flexible Metal-Organic Frameworks for Hydrogen Isotope Separation Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, Korea, Republic of (South Korea) External Resource:
10:55am - 11:25am
ID: 1379 / MS-20: 3 All topics Invited lecture to session MS: Dynamic frameworks Keywords: Biomolecules; biocatalysis; separation; biopharmaceutical Novel composite platform: Biomolecules-incorporation for biocatalysis, separation and biopharmaceutical formulations Nankai University, Tianjin, China, People's Republic of External Resource:
11:25am - 11:45am
ID: 830 / MS-20: 4 Chemical crystallography, crystal structures Oral/poster MS: Dynamic frameworks, Crystallographic approaches for designing new framework materials (including post-synthetic modification), Non-covalent interactions in crystal engineering Keywords: frameworks, hydrogen bonding, halogen bonding, guest exchange, chromism Dynamic frameworks: the role of non-covalent interactions University of Cape Town, Cape Town, South Africa External Resource:
11:45am - 12:05pm
ID: 777 / MS-20: 5 Chemical crystallography, crystal structures Oral/poster MS: Solid state reactions and dynamics, Crystal chemistry with emerging technology, Dynamic frameworks, Non-covalent interactions in crystal engineering, Crystallization mechanisms of small molecule systems Keywords: Mechanical bonds; M12L8 nanocages; poly-[n]-catenanes; kinetic control; interlocked cages Synthesis and structural properties of isostructural Zn(II) M12L8 poly-[n]-catenane using the 2,4,6-tris(4-pyridyl)benzene (TPB) ligand Politecnico di Milano, Milan, Italy External Resource:
12:05pm - 12:25pm
ID: 574 / MS-20: 6 Chemical crystallography, crystal structures Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Stimuli-responsive crystalline compounds, Dynamic frameworks, Non-covalent interactions in crystal engineering Posters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Aurophilic interactions; vapochromism; cocrystals; high pressure/low temperature Cocrystallization, high pressure/low temperature behaviour and vapochromism in a family of aurophilic copper-gold supramolecular networks. 1Department of Chemistry, Università di Torino, Via Pietro Giuria 7, 10125 Torino, Italy; 2Department of Earth sciences, University of Torino, Via Valperga Caluso 35, 10125, Turin, Italy; 33Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Viale G. P. Usberti 17A, 43100 Parma, Italy External Resource:
12:25pm - 12:45pm
ID: 502 / MS-20: 7 Bursary application Oral/poster MS: Dynamic frameworks, Porous framework materials for gas adsorption/separation, Function and application of porous crystals Keywords: Keywords: IUCr2020; flexible porous materials; water sorption; in situ PXRD, phase transitions, S-shaped sorption isotherm Structural modifications occurring during the water sorption processes on a potential material for autonomous indoor humidity control 1University of Dschang, Department of Chemistry, PO Box 67, Dschang, Cameroon; 2Fraunhofer-Institut for Solar Energy Systems ISE, Division Thermal Systems and Buildings, Heidenhofstraße 2, 79110 Freiburg, Germany; 3Institut für Anorganische Chemie und Strukturchemie, Heinrich-Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany; 4Laboratoire Léon Brillouin (LLB), UMR 12 CEA/CNRS, Bât. 563 CEA Saclay, 91191 Gif-sur-Yvette cedex, France Bibliography
1.Kenfack, T.P.; Hastürk, E.; Fröhlich, D.; Wenger, E.; Durand, P.; Lambi N. J.; Lecomte, C.; Janiak, C. Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control. Cryst. Growth Des. 2019, 17, 2869 – 2880. 2.Majoumo-M, F.; Ngwang, N. E.; Kenfack. T. P.; Nguepmeni, E. V. B.; Ngwain Y. J.; Efeti, I. I. Synthesis, molecular and crystal structure of 1-(1, 2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl) ethylidene] hydrazine. Acta Cryst. 2019, E75, 251 – 254. 3.Kamta, T. H. M.; Kenfack T. P.; Lontio F. R.; Ekane, P.E.; Pattayil, A. J.; Delcorte, A.; Roussin; Lambi. N.J. Structural characterization and magnetic properties of undoped and copper-doped cobalt ferrite nanoparticles prepared by the octanoate coprecipitation route at very low dopant concentrations. RSC Adv. 2018, 8, 38621 – 38630. 4.Kenfack, T. P.; Tsamo, T. A; Mkounga, P.; Nkengfack, A. E.; Tonle, K. I., Crystal structure of limonoid TS3, isolated from Trichilia rubescens. Acta Cryst 2018, E74, 1083 – 1086. 5. Kenfack, T.P.; Ngolui, L. J.; Wenger, E.; Durand, P.; Dahaoui, S.; Lecomte, C., Reversible breathing process and associated thermochromism of a stacked-layer porous supramolecular material. Cryst. Growth Des. 2017, 17, 4908 – 4917. External Resource:
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| 2:45pm - 5:10pm | MS-28: Theory and practice of supramolecular synthons in crystal engineering Location: Club C Session Chair: Seiji Tsuzuki Session Chair: Alessia Bacchi |
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2:45pm - 2:50pm
ID: 1757 / MS-28: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1146 / MS-28: 2 Chemical crystallography, crystal structures Invited lecture to session MS: Theory and practice of supramolecular synthons in crystal engineering Keywords: sigma-hole; computations; electrostatic potential Modulation of halogen, chalcogen and pnictogen bonds by σ-hole tunning Institute of Organic Chemistry and Biochemistry of the CAS, Prague, Czech Republic External Resource:
3:20pm - 3:50pm
ID: 1160 / MS-28: 3 Chemical crystallography, crystal structures Invited lecture to session MS: Theory and practice of supramolecular synthons in crystal engineering Keywords: mechanochromism, thermocromism, “2S–2N” square synthon Benzothiadiazole-based luminescent stimuli-responsive materials: The role of “2S–2N” square synthon on their supramolecular arrangement and switchable behaviour Instituto de Ciencia de Materiales de Madrid, Madrid, Spain External Resource:
3:50pm - 4:10pm
ID: 719 / MS-28: 4 Bursary application Oral/poster MS: Crystal structure prediction, Theory and practice of supramolecular synthons in crystal engineering, New trends in pharmaceutical materials, Non-covalent interactions in crystal engineering, Crystallization mechanisms of small molecule systems, Handling of big data in crystallography Keywords: co-crystal prediction, Nevirapine, CCDC tools Combining modified CCDC tools to predict multicomponent formation: co-crystals of nevirapine and benzoic derivatives 1Instituto de Ciência e Tecnologia, Universidade Federal de São Paulo, 12231-280 São José dos Campos, Brazil; 2Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra, CSIC, 18100 Armilla, Granada, Spain; 3Cambridge Crystallographic Data Centre, Cambridge, CB2 1EZ, United Kingdom; 4Instituto de Química y Fisica Rocasolano, CSIS, 28006 Madrid, Spain Bibliography
Costa, R. N. et al. (2020). CrystEngComm, 22 (43), 7460. Costa, R. N. et al. (2020). Cryst. Growth Des. 20 (2), 688. External Resource:
4:10pm - 4:30pm
ID: 724 / MS-28: 5 Chemical crystallography, crystal structures Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering Keywords: gold, noncovalent interactions; π-hole interactions; coinage bond Gold(III) as an effective electrophilic site, namely coinage bond donor: assembly of AuCl4ˉ units into supramolecular anionic polymers 1Politecnico di Milano, Milano, Italy; 2Universitat de les Illes Balears, Palma de Mallorca (Baleares), Spain External Resource:
4:30pm - 4:50pm
ID: 275 / MS-28: 6 Bursary application Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Solid state reactions and dynamics, Polymorphism and structural transformation of organic crystals from synthesis to characterization Keywords: hydrogen bonds; molecular dynamics; crystal engineering Experimental and ab initio molecular dynamics study of hydrogen bond systems in selected crystals Faculty of Chemistry of Jagiellonian University in Kraków, Gronostajowa 2, 30-387 Kraków, Poland Bibliography
1. ‘Unmasking the Mechanism of Structural Para- to Ferroelectric Phase Transition in (NH4)2SO4’, L. M. Malec, M. Gryl, K. M. Stadnicka; Inorg. Chem. 2018, 57, 4340-4351, 10.1021/acs.inorgchem.7b03161; 2.‘Spectroscopic study of uracil, 1-methyluracil and 1-methyl-4-thiouracil: Hydrogen bond interactions in crystals and ab-initio molecular dynamics’, M. Z. Brela, M. Boczar, L. M. Malec, M. J. Wójcik, T. Nakajima; Spectrochim. Acta, Part A 2018, 197, 194-201, https://doi.org/10.1016/j.saa.2018.01.050; External Resource:
4:50pm - 5:10pm
ID: 569 / MS-28: 7 Chemical crystallography, crystal structures Oral/poster MS: Theory and practice of supramolecular synthons in crystal engineering, Solid state reactions and dynamics, Stimuli-responsive crystalline compounds, Polymorphism and structural transformation of organic crystals from synthesis to characterization, Non-covalent interactions in crystal engineering Keywords: Smart materials, Soft crystals, thermal actuators, Crystal adaptronics, jumping crystals Thermally Actuating Multifunctional Molecular Crystals 1Department of chemistry, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates; 2Department of Electrical and Computer Engineering, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates External Resource:
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| Date: Tuesday, 17/Aug/2021 | |
| 10:20am - 12:45pm | MS-38: Structural, electronic and magnetic ordering: From fundamental physics to functionality Location: Club C Session Chair: Javier Sanchez-Benitez Session Chair: Ovidiu Garlea Invited: Christian Balz (USA), Mark Senn (UK) |
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10:20am - 10:25am
ID: 1768 / MS-38: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1278 / MS-38: 2 Physics and fundamental crystallography Invited lecture to session MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality Keywords: quantum magnetism; Kitaev materials; neutron scattering Magnetic Phase diagram of alpha-RuCl3 Oak Ridge National Laboratory, Oak Ridge, United States of America External Resource:
10:55am - 11:25am
ID: 1478 / MS-38: 3 Physics and fundamental crystallography Invited lecture to session MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality Keywords: Manganites, CMR, Orbital order, charge order, Jahn-Teller Striping of orbital-order with charge-disorder in optimally doped manganites University of Warwick, Coventry, United Kingdom External Resource:
11:25am - 11:45am
ID: 877 / MS-38: 4 All topics Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Phase transitions in complex materials (structure and magnetism), Total scattering Keywords: vanadium oxide, spinel, orbital molecule, metal-insulator transition Formation and ordering of orbital molecules in AV2O4 spinels 1School of Chemistry, University of St Andrews, North Haugh, St Andrews KY16 9ST, United Kingdom; 2Centre for Science at Extreme Conditions and School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh EH9 3FD, United Kingdom External Resource:
11:45am - 12:05pm
ID: 472 / MS-38: 5 Bursary application Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Perovskites, Complex structures of minerals and inorganic materials Keywords: Perovskite, Hybrid materials, Coordination polymers Perovzalates: a family of perovskite-related oxalates 1Department of Chemistry - Ångstrom Laboratory, Uppsala University, 751 21 Uppsala, Sweden; 2School of Chemistry, University of St Andrews, St Andrews, Fife, KY16 9ST, UK; 3School of Physics, University of St Andrews, St Andrews, Fife, KY16 9SS, UK Bibliography
Perovzalates: a family of perovskite-related oxalates R. Clulow, A. J. Bradford, S. L. Lee and P. Lightfoot, Dalt. Trans., 2019, 48, 14461–14466. A hybrid fluoride layered perovskite, (enH2)MnF4 T. Li, R. Clulow, A. J. Bradford, S. L. Lee, A. M. Z. Slawin and P. Lightfoot, Dalt. Trans., 2019, 48, 4784-4787 New sarcosine-metal halide complexes related to ferroelectric TSCC R. Clulow and P. Lightfoot, CrystEngComm, 2018, 20, 4012–4019. Ferrielectricity in the metal-organic ferroelectric tris sarcosine calcium chloride J. F. Scott, F. D. Morrison, A. M. Z. Slawin, P. Lightfoot, R. Clulow, A. S. A. Gherson, A. M. Bumstead, J. Gardner, S. C. Capelli, M. R. Probert, S. Sahoo, J. S. Young, R. S. Katiyar and E. K. H. Salje, Phys. Rev. B, 2017, 95, 094119. External Resource:
12:05pm - 12:25pm
ID: 929 / MS-38: 6 Physics and fundamental crystallography Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Perovskites Keywords: Aurivillius, anion-order, ferroic, non-centrosymmetric, magnetic structure Aurivillius oxyfluorides: nuclear and magnetic order and the role of the anion sublattice Durham University, Durham, United Kingdom External Resource:
12:25pm - 12:45pm
ID: 1217 / MS-38: 7 All topics Oral/poster MS: Structural, electronic and magnetic ordering: From fundamental physics to functionality, Phase transitions in complex materials (structure and magnetism), Composite and Incommensurate modulated crystals: structural and physical properties Keywords: intermartensitic phase transformation, ferroelastic Ni-Mn-Ga; modulated structures, martensite, Heusler alloys Intermartensitic transformation between modulated structures in Heusler Ni-Mn-Ga(-Fe) single crystals 1FZU - Institute of Physics of the Czech Academy of Sciences, Na Slovance 1999/2, 18221 Prague 8, Czech Republic; 2Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Trojanova 13, 12000 Prague 2, Czech Republic; 3Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 12116 Prague 2, Czech Republic; 4Institut Laue-Langevin, 71 avenue des Martyrs, CS 20156, 38042 Grenoble cedex 9, France External Resource:
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| Date: Wednesday, 18/Aug/2021 | |
| 10:20am - 12:45pm | MS-45: Frustrated magnetic order and emerging science Location: Club C Session Chair: Romain Sibille Session Chair: Geetha Balakrishnan Invited: Beauvois Ketty (France), Nicolas Gauthier (USA) |
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10:20am - 10:25am
ID: 1776 / MS-45: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 209 / MS-45: 2 Physics and fundamental crystallography Invited lecture to session MS: Frustrated magnetic order and emerging science Keywords: Magnetic pentagonal order, Frustration, Magnetic interactions Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi2Fe4O9 1Institut Laue Langevin, Grenoble, France; 2CEA, IRIG/DEPHY/MEM-MDN, Grenoble, France; 3Institut Néel, CNRS, Grenoble, France; 4CEA-CNRS, LLB Saclay, France; 5Institute of Solid State Physics, Bulgarian Academy of Sciences, Bulgaria; 6Russian Academy of science, Russia; 7Universitat Autonoma de Barcelona, Spain External Resource:
10:55am - 11:25am
ID: 1159 / MS-45: 3 Physics and fundamental crystallography Invited lecture to session MS: Frustrated magnetic order and emerging science Keywords: frustrated magnet, spin-orbit coupling, crystal electric field, electric interactions, collective mode Characterizing the local charge density to determine complex magnetic correlations, and vice versa Stanford University & SLAC National Accelerator Laboratory, Stanford, California 94305, USA External Resource:
11:25am - 11:45am
ID: 1104 / MS-45: 4 Physics and fundamental crystallography Oral/poster MS: Frustrated magnetic order and emerging science, Structural, electronic and magnetic ordering: From fundamental physics to functionality, Magnetic structures of novel and functional materials, Phase transitions in complex materials (structure and magnetism) Keywords: Magnetism, Neutron diffraction, inelastic neutron scattering, 2D layered materials, exchange interactions Magnetic structure and interactions in 2D layered van der Waals semiconductors CrPS4 and MnPSe3 probed with neutron scattering 1Oak Ridge National Laboratory; 2University of Tennessee External Resource:
11:45am - 12:05pm
ID: 1301 / MS-45: 5 Physics and fundamental crystallography Oral/poster MS: Frustrated magnetic order and emerging science, Structural, electronic and magnetic ordering: From fundamental physics to functionality, Magnetic structures of novel and functional materials, Phase transitions in complex materials (structure and magnetism) Keywords: Exotic magnetic phases; geometric frustration; short-range magnetic order; magnetocaloric effect Geometric frustration on the trillium lattice in a magnetic metal–organic framework 1Inorganic Chemistry Laboratory, University of Oxford, South Parks Rd., Oxford OX1 3QR, U.K; 2Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, U.S.A.; 3Churchill College, University of Cambridge, Storey’s Way, Cambridge CB3 0DS, U.K.; 4Institut Laue-Langevin, BP156, 71 Avenue des Martyrs, 38000, Grenoble, France; 5Institut Néel, 25 Avenue des Martyrs, 38042 Grenoble, France; 6Department of Chemistry, University of Bergen, P.O. Box 7803, N-5020 Bergen, Norway; 7Department of Fundamental Chemistry and CICA, Faculty of Sciences University of A Coruña, 15071 A Coruña, Spain; 8School of Physical Sciences, University of Kent, Canterbury CT2 7NH, U.K. External Resource:
12:05pm - 12:25pm
ID: 895 / MS-45: 6 All topics Oral/poster MS: Frustrated magnetic order and emerging science Keywords: triangular lattice, antiferromagnet, geometrical frustration, neutron diffraction, magnetic pair distribution function Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO4 1Brigham Young University, Provo, United States of America; 2Georgia Institute of Technology, Atlanta, United States of America External Resource:
12:25pm - 12:45pm
ID: 850 / MS-45: 7 Physics and fundamental crystallography Oral/poster MS: Frustrated magnetic order and emerging science Keywords: triangular lattice; antiferromagnetis; neutron diffraction; pair-distribution function analysis; phases transitions. Nanoscale distortions and ground state selection in geometrically frustrated magnets 1Foundation for Research and Technology - Hellas, 71110 Heraklion, Crete, Greece; 2Brigham Young University, Provo, Utah 84602, USA; 3Brookhaven National Laboratory, Upton, New York 11973, USA External Resource:
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| 2:45pm - 5:10pm | MS-53: Function and application of porous crystals Location: Club C Session Chair: Karena Chapman Session Chair: Fernando Uribe-Romo |
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2:45pm - 2:50pm
ID: 1784 / MS-53: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1281 / MS-53: 2 Materials and minerals Poster MS: Function and application of porous crystals Posters only: Porous materials Keywords: UV-Visible-Light-Responsive PTA, Arrayed Pt nanoparticles, Photocatalytic hydrogen production, meso-ordered silicatropic template, grazing incidence small-angle X-ray scattering Densely Packed UV-Visible Light Responsive Photocatalytic Pairs in Hexagonally Arrayed Silicate Nanochannels for Hydrogen Production 1National Synchrotron Radiation Research Center (NSRRC), Hsinchu, Taiwan; 2National Tsing Hua University Department of Chemical Engineering; 3Tunghai University Department of Chemistry External Resource:
3:20pm - 3:50pm
ID: 585 / MS-53: 3 Materials and minerals Oral/poster MS: Function and application of porous crystals Keywords: Topology, mapping, metal organic frameworks, guest host interactions MOFs as hosts to analogues of complex magnetic phases 1Imperial College London, United Kingdom; 2Université Paris Sciences et Lettres, France; 3University of Oxford, Oxford, United Kingdom External Resource:
3:50pm - 4:15pm
ID: 980 / MS-53: 4 Materials and minerals Oral/poster MS: Function and application of porous crystals, Disordered materials: spectroscopic and scattering techniques Keywords: NMR crystallography, molecular machines, photoswitching NMR crystallography of 2D and 3D assemblies of functional molecules Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic External Resource:
4:15pm - 4:40pm
ID: 1073 / MS-53: 5 All topics Oral/poster MS: Function and application of porous crystals Keywords: mesostructured, catalysts, CO2, dimethyl ether, bifunctional From CO2 to dimethyl ether: mesostructured acidic oxides for methanol dehydration to design bifunctional catalysts 1University of Cagliari, Monserrato (CA), Italy; 2Sotacarbo SpA, Carbonia (SU), Italy; 3Humboldt University, Berlin, Germany External Resource:
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| Date: Thursday, 19/Aug/2021 | |
| 10:20am - 12:45pm | MS-62: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Location: Club C Session Chair: Juan Manuel Garcia-Ruiz Session Chair: Giuseppe Falini Invited: Boaz Pokroy (Israel), Abel Moreno (Mexiko) |
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10:20am - 10:25am
ID: 1793 / MS-62: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1376 / MS-62: 2 Materials and minerals Invited lecture to session MS: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Keywords: Bio-inspired, band gap engineering Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering Technion Israel Institute of Technology, Haifa, Israel External Resource:
10:55am - 11:25am
ID: 1490 / MS-62: 3 All topics Invited lecture to session MS: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Keywords: calcium carbonate; biomineralization, intramineral proteins, eggshells, characterization The role of intramineral proteins involved into the biomineralization of calcium carbonate in eggshells formation. Implications to the dinosaurs´ extinction Instituto de Química. Universidad Nacional Autónoma de México, Mexico City, Mexico External Resource:
11:25am - 11:45am
ID: 327 / MS-62: 4 Bursary application Oral/poster MS: Texture, strain and structure in metals and ceramics, Complex structures of minerals and inorganic materials, The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Keywords: chemical gardens, self-organization, biomorphs, early Earth, Soda lakes Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra, Consejo Superior de Investigaciones Científicas–Universidad de Granada, Granada, Spain Bibliography
4. Getenet, M., García-Ruiz, J.M., Emmerling, F., Al-Sabbagh, D., Otálora, F., Verdugo-Escamilla, C. Monitoring mineral precipitation sequence of Lake Magadi soda lake: A multi-technical approach. EGU 2021 assembly. Abstract accepted for virtual presentation 3. Getenet, M., García-Ruiz, J.M., Emmerling, F., Al-Sabbagh, D., Otálora, F., Verdugo-Escamilla, C. In Situ Monitoring of Mineral Precipitation Sequence from Acoustically Levitated Droplets of Lake Magadi Brine, East African Rift Valley. GE3C 2021 symposium (Spain) (Virtual oral presentation) 2. Getenet, M., García-Ruiz, J.M., Otálora, F., Verdugo-Escamilla C. Mineral Precipitation from Soda Brines, Lake Magadi, Rift Valley (Kenya). AGU 2020 fall meeting (Virtual poster presentation). https://doi.org/10.1002/essoar.10505653.2 1. Getenet, M., García-Ruiz, J.M., Verdugo-Escamilla, C., Guerra-Tschuschke, I. Mineral Vesicles and Chemical Gardens from Carbonate-Rich Alkaline Brines of Lake Magadi, Kenya. Crystals 2020, 10, 467. https://doi.org/10.3390/cryst10060467 External Resource:
11:45am - 12:05pm
ID: 1432 / MS-62: 5 Materials and minerals Oral/poster MS: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Keywords: biomineralization, red alga, Mg-calcite Structure and properties of coralline red alga: from helical configuration to alternating layers Technion, Haifa, Israel External Resource:
12:05pm - 12:25pm
ID: 1114 / MS-62: 6 Materials and minerals Oral/poster MS: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials Keywords: Biomineralization, X-ray diffraction computed tomography, Orientation mapping Non-destructive 3D orientational mapping of bone using diffractive X-ray tomography 1PoreLab, Department of Physics, Norwegian University of Science and Technology (NTNU), Høgskoleringen 5, 7491 Trondheim, Norway; 2Uppsala University, Department of Organismal Biology, Evolutionary Biology Centre, Norbyvägen 18 A, 75236, Uppsala, Sweden.; 3Faculty of Veterinary Medicine, Department of Companion Animal Clinical Sciences, Norwegian University of Life Sciences, Oslo, Norway.; 4ESRF-The European Synchrotron, 71 Avenue des Martyrs, 38000 Grenoble, France.; 5Department of Microsystems, University of South-Eastern Norway (USN), Campus Vestfold, 3184 Borre, Norway. External Resource:
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| 1:00pm - 2:30pm | ECA - SIG-6: ECA - SIG-6 Instrumentation and Experiment Location: Club C |
| 2:45pm - 5:10pm | MS-70: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Location: Club C Session Chair: Angelika Dorothea Rosa Session Chair: Ulf Zastrau Invited: Virginia Monteseguro (Spain, ESRF), Emma McBride (USA, SLAC) |
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2:45pm - 2:50pm
ID: 1801 / MS-70: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1098 / MS-70: 2 All topics Invited lecture to session MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Keywords: High-pressure, XAS, XRD, 3d-5d transition metals, 4f elements Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure 1DCITIMAC, Facultad de Ciencias, University of Cantabria, Spain; 2Universitat Politècnica de València, Spain; 3Centro Universitario de la Defensa de Zaragoza, Spain; 4ALBA-CELLS, Barcelona, Spain External Resource:
3:20pm - 3:50pm
ID: 1352 / MS-70: 3 All topics Invited lecture to session MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Keywords: Extreme Conditions, Free Electron Lasers, Shock compression, Phase transitions Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS SLAC National Accelerator Laboratory, Menlo Park, United States of America External Resource:
3:50pm - 4:05pm
ID: 1154 / MS-70: 4 All topics Poster MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Keywords: Diamond Anvil cell, time resolution, high temperature, heating/cooling rates. A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements. 1Physics Division, School of Science and Technology, University of Camerino, Via Madonna delle Carceri 9, Camerino (MC), 62032, Italy.; 2Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192, Gif-sur-Yvettte Cedex, France; 3Geodynamic Research Center, Ehime University, Matsuyama 790-8577, Japan. External Resource:
4:05pm - 4:20pm
ID: 795 / MS-70: 5 Methods and instruments Oral/poster MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Keywords: XRD, Extreme conditions beamline, 4th generation synchrotron EMA beamline status and its XRD prospects Brazilian Synchrotron Light Laboratory (LNLS - CNPEM), Campinas, Brazil External Resource:
4:20pm - 4:35pm
ID: 490 / MS-70: 6 Bursary application Poster MS: Spectroscopy applied to electrochemistry: operando studies, Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction, Advanced methods for analysis of XAFS and crystallographic data Posters only: Structure and phase transitions in advanced materials, Crystallography in industry and applied sciences, Methods, instrumentation (if it does not fit to any specific topics) Keywords: XAFS, time-resolved, adaptive x-ray optics Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme 1FSRC “Crystallography & photonics” RAS; 2NRC "Kurchatov institute", Moscow, Russian Federation Bibliography
1.Development of methods for ultrasonic scanning of X-ray wavelength, Blagov A.E., Pisarevskii Y.V., Prosekov P.A., Targonskii A.V., Eliovich Y.A., Protsenko A.I., Koval’chuk M.V. Crystallography Reports. 2017. Т. 62. № 6. С. 831-836. 2.Investigations of the Growth Processes of Bismuth-Germanate Crystals (Bi12GeO20) from the Melt using the X-Ray Diffraction Characteristics of Natural Lateral Faces, Mololkin A.A., Protsenko A.I., Blagov A.E., Vinogradov A.V., Lomonov V.A., Pisarevskii Y.V., Targonskii A.V., Eliovich Y.A. // Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques. 2018. Т. 12. № 1. С. 69-74. Targonskiy, Anton & Blagov, Alexander & Eliovich, Yan & Prosekov, Pavel & Pisarevsky, Yuri & Protsenko, Andrei & Valentin, Akkuratov & Kovalchuk, Michail. 3.Development of time-resolved X-ray acoustic method of investigation of crystals. // Acta Crystallographica Section A Foundations and Advances. 73. C1419-C1419. DOI 10.1107/S2053273317081578. External Resource:
4:35pm - 4:50pm
ID: 1155 / MS-70: 7 Methods and instruments Oral/poster MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Keywords: Elements, Thermal conductivity, Lattices, Diffraction, Phase transitions Unveiling the Structural Behavior under Pressure of Filled M0.5Co4Sb12 (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites 1ESRF, Grenoble, France; 2ICMM-Madrid, Spain; 3UFPel, Brazil; 4ALBA, Spain External Resource:
4:50pm - 5:05pm
ID: 1289 / MS-70: 8 All topics Oral/poster MS: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: pre-compression, shock-compression, noble gases Towards higher densities of matter: ultra-high pre-compression in shock dynamic experiments 1European X-ray Free Electron Laser facility GmbH; 2ETH-Zürich; 3Lawrence Livermore National Laboratory; 4Laboratoire pour l’Utilisation des Lasers Intenses, École Polytechnique; 5Deutsches Elektronen-Synchrotron DESY External Resource:
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| Date: Friday, 20/Aug/2021 | |
| 10:20am - 12:45pm | MS-76(59b): Crystal chemistry with emerging technology II Location: Club C Session Chair: Consiglia Tedesco Session Chair: Toru Asahi |
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10:20am - 10:25am
ID: 1807 / MS-76(59b): 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 860 / MS-76(59b): 2 Chemical crystallography, crystal structures Oral/poster MS: Crystal chemistry with emerging technology, Polymorphism and structural transformation of organic crystals from synthesis to characterization Keywords: in situ synthesis; crystallization; kinetic; X-ray diffraction In situ study of chemical synthesis using high-energy X-ray diffraction on beamline I12 at Diamond Light Source Diamond Light Source Ltd., Didcot, United Kingdom External Resource:
10:55am - 11:25am
ID: 336 / MS-76(59b): 3 Bursary application Oral/poster MS: High pressure crystallography, Solid state reactions and dynamics, Crystal chemistry with emerging technology Keywords: organometallic chemistry, B-H bond activation, pincer complexes, high-pressure crystallography The solid-state chemistry of rhodium(I) pincer complexes under extreme conditions. University of Warwick, Coventry, United Kingdom Bibliography
N/A External Resource:
11:25am - 11:45am
ID: 807 / MS-76(59b): 4 Chemical crystallography, crystal structures Oral/poster MS: Graphs, tilings and crystal structures, Complex structures of minerals and inorganic materials, Solid state reactions and dynamics, Crystal chemistry with emerging technology Keywords: Disorder, Fuel Cells, Density Functional Theory, Fergusonite, Phase Transitions Insight into the Structural Variations of Fergusonite-Type Structures: Combined Experimental and Computational Studies 1School of Chemistry, The University of Sydney, New South Wales 2006, Australia; 2Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia; 3Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 2168, Australia; 4Advanced Centre of Research in High Energy Materials (ACRHEM), University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India; 5School of Physics, University of Hyderabad, Prof. C. R. Rao Road, Gachibowli, Hyderabad 500 046, Telangana, India External Resource:
11:45am - 12:05pm
ID: 896 / MS-76(59b): 5 Bursary application Oral/poster MS: Crystal chemistry with emerging technology, Crystallization mechanisms of small molecule systems Keywords: Na2W2O7; Czochralski technique; scintillators; elementary particles; luminescence Growth and spectroscopic studies of Na2W2O7 crystals doped with Ce+4 and Cr+3 ions, promising scintillation detectors of elementary particles Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, Russian Federation Bibliography
In last 5 years, indexed in Scopus and WebofSci, 4 publications by first authorship, 25 in total: 1.Grigorieva V.D., Ivannikova N.V., Ivanov I.M., Makarov E.P., Shlegel V.N. «Precursors preparation for growth of low-background scintillation crystals» AIP Conference Proceedings, 2018, Vol. 1921. 2.Grigorieva V.D., Shlegel V.N., Ivannikova N.V., Bekker T.B., Yelisseyev A.P., Kuznetsov A.B. «Na2Mo2O7 scintillating crystals: Growth, morphology and optical properties» Journal of Crystal Growth, 2019, 507, 31-37. 3.Grigorieva V.D., Shlegel V.N.; Borovlev Y.A.; Ryadun A.A.; Bekker T.B. “Bolometric molybdate crystals grown by low-thermal-gradient Czochralski technique” Journal of Crystal Growth, 2019, V. 523. P. 125144. 4.V.D. Grigorieva, V.N. Shlegel, Yu.A. Borovlev, T.B. Bekker, A.S. Barabash, S.I. Konovalov, V.I. Umatov, V.I. Borovkov, O.I. Meshkov “Li2100deplMoO4 crystals grown by low-thermal-gradient Czochralski technique” Journal of Crystal Growth, 2020, V. 552, 125913. 5.T. B. Bekker, N. Coron, F. A. Danevich, V. Ya. Degoda, A. Giuliani, V. D. Grigorieva, N. V. Ivannikova, M. Mancuso, P. de Marcillac, I. M. Moroz, C. Nones, E. Olivieri, G. Pessina, D. V. Poda, V. N. Shlegel, V. I. Tretyak, M. Velazquez «Aboveground test of an advanced Li2MoO4 scintillating bolometer to search for neutrinoless double beta decay of Mo-100» Astroparticle Physics, 2016, V. 72, pp. 38–45. 6.P. A. Popov, S. A. Skrobov, N. V. Mitroshenkov, V. N. Shlegel, V. D. Grigorieva, «Thermal Conductivity of Na2W2O7 Crystal» Physics of the Solid State, 2016, V. 58, No. 8, pp. 1716–1718. 7.Armengaud E., Augier C., Barabash A.S., Grigorieva V.D. et al. «Development of 100Mo-containing scintillating bolometers for a high-sensitivity neutrinoless double-beta decay search» European Physical Journal C, 2017, 77:785. 8.Shlegel V.N., Borovlev Yu.A, Grigoriev D.N., Grigorieva V.D., Danevich F.A., Ivannikova N.V., Postupaeva A.G., Vasiliev Ya.V. «Recent progress in oxide scintillation crystals development by low-thermal gradient Czochralski technique for particle physics experiments» Journal of Instrumentation, 2017, Volume 12 C08011. 9.Pandey Indra Raj, Kim H.J. , Lee H.S., Kim Y.D., Lee M.H., Grigorieva V.D., Shlegel V.N. «The Na2W2O7 crystal: a crystal scintillator for dark matter search experiment» European Physical Journal C, 2018, 78:973. 10.Solntsev V.P., Bekker T.B., Davydov A.V., Yelisseyev A.P., Rashchenko S.V., Kokh A.E., Grigorieva V.D., Park S.-H.. «Optical and Magnetic Properties of Cu-Containing Borates with "antizeolite" Structure» Journal of Physical Chemistry C, 2019, V. 123, I. 7, 21, 4469-4474. 11.Matskevich N.I., Shlegel V.N., Stankus S.V., Grigorieva V.D., Samoshkin D.A., Zaitsev V.P., Kuznetsov V.A. “New mixed oxides on the basis of bismuth niobate and lithium molybdate” Materials Today: Proceedings, 2019, 25, с. 367-369. 12.Alenkov V., Bae H.W., Beyer J., Grigoryeva V.D., Makarov E.P., Shlegel V.N. et al. «First results from the AMoRE-Pilot neutrinoless double beta decay experiment» European Physical Journal C, 2019, Volume 79, Issue 9, 791. 13.Armengaud, E., Augier, C., Barabash, Grigorieva V.D., A.S., Yakushev, E., Zolotarova, A.S. et al. “Precise measurement of 2ν2β decay of 100Mo with Li2MoO4 low temperature detectors: Preliminary results” AIP Conference Proceedings, 2019, 2165, 020005. 14.Armengaud E., Augier, C., Barabash A.S., Borovlev Yu.A., Grigorieva V.D., Makarov E.P., Shlegel V.N., Yakushev E., Zolotarova A.S. et al. “The CUPID-Mo experiment for neutrinoless double-beta decay: performance and prospects” European Physical Journal C, 2020, 80(1), 44. 15.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. «Photoluminescence properties of perspective bolometric crystals Na2Mo2O7 and Na2W2O7 grown by low-thermal-gradient Czochralski technique» Optical Materials, 2020, 99, 109537. 16.Degoda V.Y., Danevich F.A., Grigorieva V.D., Pogust G.P., Shlegel V.N., Stanovyy O. “Luminescence of Li2W1-0.05Mo0.05O4 crystal under X-ray excitation” Optik, 2020, 206, 164273. 17.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. «Effect of Cu doping on properties of PbMoO4 single crystals as materials for luminescence thermometry» Materials Technology, 2020. 18.Kowalczyk M., Ramazanova T.F., Grigoryeva V.D., Shlegel V.N., Kaczkan M., Fetliński B., Malinowski M. “Optical investigation of Eu3+ doped Bi12GeO20 (BGO) crystals” Crystals, 2020, 10(4), 285.. 19.Armengaud, E., Augier, C., Barabash, A.S., Borovlev Yu. A., Grigorieva V.D., Makarov E.P., Shlegel V.N., Yakushev, E., Zolotarova, A.S. et al. “Precise measurement of 2νββ decay of 100 Mo with the CUPID-Mo detection technology” European Physical Journal C, 2020, 80(7), 674. 20.Musikhin, A.E., Bespyatov, M.A., Shlegel, V.N., Grigorieva, V.D. "Thermodynamic properties and phonon density of states of Na2Mo2O7 using heat capacity measurements from 5.7 to 310 K” Journal of Alloys and Compounds, 2020, 830,154592. 21.I. Novoselov, O.V. Gileva, J.S. Choe, K.A. Shin, V.N. Shlegel’, V.D. Grigorieva, M.H. Lee, Y.Kim, H.K. Park «Preparation of Extra-pure Na2CO3 Powder with Crystallization Techniques for Low-Background Scintillation Crystal Growth» Inorganic Materials, 2020, 56(8), pp. 867-874. 22.S. Nagorny, C. Rusconi, S. Sorbino, J.W. Beeman, F. Bellini, L. Cardani, V.D. Grigorieva, L. Pagnanini, S. Nisi, I.I. Novoselov, S. Pirro, K. Schäffner, V.N. Shlegel “Na-based crystal scintillators for next-generation rare event searches” Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2020, 977, 164160. 23.Chunaev D.S., Lukanin V.I., Shukshin V.E., Zverev P.G., Shlegel V.N., Grigorieva V.D. «Stimulated Raman scattering in disodium ditungstate crystal» Laser Physics Letters, 2020, 17(1), 015801. 24.Matskevich N.I., Shlegel V.N., Stankus S.V., Grigorieva V.D., Samoshkin D.A., Zaitsev V.P., Kuznetsov V.A. “New mixed oxides on the basis of bismuth niobate and lithium molybdate” Materials Today: Proceedings, 2020, 25, с. 367-369. 25.Ryadun A.A., Rakhmanova M.I., Grigorieva V.D. “Optical properties of Pb2MoO5 and Pb2WO5 single crystals as materials for practical applications” Optik, 2020, 165912 External Resource:
12:05pm - 12:25pm
ID: 268 / MS-76(59b): 6 Bursary application Oral/poster MS: Crystal chemistry with emerging technology Keywords: semi-organic compounds, NLO properties, THG technique, correlation Correlation between structural studies and third order NLO properties of three new semi-organic compounds 1Abbes Laghrour Khenchela University, Khenchela, Algeria; 2Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (CRM2, UMR CNRS 7036). France; 3Houari Boumédiène (USTHB)-Member of Algerian Academy of Sciences and Technology (AAST) Algiers. Algeria Bibliography
Falek. W, Benali-Cherif. R, Golea. L, Samai. S, Benali-Cherif. N, Bendeif. E.-E, Daoud. I. Journal of Molecular Structure. 1192 (2019) 132-144 « A structural comparative study of charge transfer compounds: Synthesis, crystal structure, IR, Raman-spectroscopy, DFT computation and hirshfeld surface analysis » External Resource:
12:25pm - 12:45pm
ID: 231 / MS-76(59b): 7 Bursary application Oral/poster MS: Perovskites, Phase transitions in complex materials (structure and magnetism), Crystal chemistry with emerging technology Posters only: Structure and phase transitions in advanced materials, Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: Phase transitions, X-ray diffraction, Mössbauer spectrometry, Raman spectroscopy, UV– Vis spectroscopy Structural, magnetic and optical properties study of tellurium–based: Sr3–xPbxFe2TeO9 (0 ≤ x ≤ 2.25) double perovskites 1Laboratoire Rayonnement Matière et Instrumentation, S3M, FST, University Hassan 1er, 26000 Settat, Morocco; 2Materials Science and nano–engineering (MSN), University Mohammed VI Polytechnic, Lot 660 Hay Moulay Rachid, 43150 Ben Guerir, Morocco; 3Material Physics Laboratory, Faculty of Sciences and Techniques, Sultan Moulay Sliman University, B.P. 523, 23000 Beni–Mellal, Morocco; 4Department of Earth Sciences, Uppsala University, SE–752 36, Uppsala, Sweden Bibliography
A. El Hachmi, B. Manoun, M. Sajieddine, Y. Tamraoui, S. El Ouahbi. Synthesis, structural and optical properties of perovskites–type: Sr3Fe2+xMo1–xO9–3x/2 (x = 0.30, 0.45, 0.60, 0.75 and 1.00). Polyhedron 200 (2021) 115133. https://doi.org/10.1016/j.poly.2021.115133 A. El Hachmi, B. Manoun, Y. Tamraoui, S. Louihi, L. Bih, M. Sajieddine and P. Lazor. Structural and Mössbauer studies of Sr1.5Ca1.5Fe2.25Mo0.75O9–δ and Sr1.92Ca1.08Fe2.04W0.96O9–δ double perovskites. Journal of Structural Chemistry, 61, 861–872 (2020). https://doi.org/10.1134/S0022476620060049 El Hachmi, A., El Bachraoui, F., Louihi, S. et al. ‘Structural, Magnetic and Optical Properties Study of Tellurium–Based Perovskites: Sr3−xPbxFe2TeO9 (0 ≤ x ≤ 2.25)’. Journal of Inorganic and Organometallic Polymers and Materials, 30, 1990–2006 (2020). https://doi.org/10.1007/s10904-020-01446-4 |
| 1:00pm - 2:30pm | ECA-1: ECA EC meeting 2 Location: Club C Session Chair: Udo Heinemann Session Chair: Arie van der Lee ECA EC meeting |
| 2:45pm - 3:50pm | SMS-6: Spectroscopy applied to electrochemistry: operando studies Location: Club C Session Chair: Jasper Rikkert Plaisier Session Chair: Dibyendu Bhattacharyya Invited: Moniek Tromp (The Netherlands), Mahalingam Balasubramanian (USA) |
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2:45pm - 2:50pm
ID: 1839 / SMS-6: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1411 / SMS-6: 2 All topics Invited lecture to session MS: Spectroscopy applied to electrochemistry: operando studies Keywords: novel operando XAS cell design Operando X-ray Absorption Spectroscopy probing Dynamic Processes in Batteries University of Groningen, Groningen, Netherlands, The External Resource:
3:20pm - 3:50pm
ID: 559 / SMS-6: 3 Bursary application Oral/poster MS: In-situ and operando studies of battery materials, Spectroscopy applied to electrochemistry: operando studies, Energy Materials Keywords: Na-ion batteries, cathode materials, operando XAS, sodium iron titanites Operando diagnostics of cathode materials based on novel sodium iron titanites 1Smart Materials Research Institute, Southern Federal University, Rostov-on-Don, Russian Federation; 2Department of Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation Bibliography
1) Inna V. Lisnevskaya, Ksenia V. Myagkaya, Vera V. Butova, Victor V. Shapovalov, Yury V. Rusalev, Heba Y. Zahran, Ibrahim S. Yahia, Alexander V. Soldatov, Ceramics International 2020 46 (5) 6333-6341 DOI: 10.1016/j.ceramint.2019.11.109 2) Shukaev, I.L., Butova, V.V., Chernenko, S.V., Pospelov, A.A., Shapovalov, V.V., Guda, A.A., Aboraia, A.M., Zahran, H.Y., Yahia, I.S., Soldatov, A.V., Ceramics International, 2020 46 (4) 4416-4422 DOI: 10.1016/j.ceramint.2019.10.167 3) A.A. Guda, M. Chegerev, A. Starikov, V. Vlasenko, A. Zolotukhin, M. Bubnov, V. Cherkasov, V. Shapovalov, Yu. Rusalev, A. Tereshchenko, A. Trigub, A. Chernyshev, A. Soldatov, Materials Research Bulletin 2020 in press 4) Abdelaziz M.Aboraia, V.V.Shapovalov, K.Vetlitsyna-Novikova, A.A.Guda, V.V.Butova, H.Y.Zahran, I.S.Yahia, A.V.Soldatov, Journal of Physics and Chemistry of Solids 2020 136 109192, DOI: 10.1016/j.jpcs.2019.109192 5) M.V. Kirichkov, A.A. Guda, A.P. Budnyk, A.L. Bugaev, T.A. Lastovina, V.V. Shapovalov, S.A. Guda, A.L. Trigub, Yu.V. Rusalev, A.V. Chernyshev, C. Lamberti, A.V. Soldatov, Radiation Physics and Chemistry 2020, DOI: 10.1016/j.radphyschem.2018.11.021 6) Inna V. Lisnevskaya, Vera V. Butova, Yury V. Rusalev, Victor V. Shapovalov, Heba Y. Zahran, Ibrahim S. Yahia, Alexander V. Soldatov, Applied Physics A 2020 126 (168) DOI: https://doi.org/10.1007/s00339-020-3359-1 7) Lisnevskaya, I.V., Butova, V.V., Perebeinos, M.I., Myagkaya, K.V., Letovaltsev, A.O., Shapovalov, V.V., Zahran, H.Y., Yahia, I.S., Soldatov, A.V., Comments on Inorganic Chemistry 2019 39 (5) 270-286 DOI: 0.1080/02603594.2019.1643331 8) Chernyshev, A.V., Guda, A.A., Cannizzo, A., Solov'Eva, E.V., Voloshin, N.A., Rusalev, Y., Shapovalov, V.V., Smolentsev, G., Soldatov, A.V., Metelitsa, A.V., Journal of Physical Chemistry B 2019 123 (6) 1324-1331 DOI: 10.1021/acs.jpcb.8b11010 9) V.V. Butova, E.A. Bulanova, V.A. Polyakov, A.A. Guda, A.M. Aboraia, V.V. Shapovalov, H.Y. Zahran, I.S. Yahia, A.V. Soldatov, Inorganica Chimica Acta 2019 492 18-22 DOI: 10.1016/j.ica.2019.04.011 10) Vetlitsyna-Novikova, K.S., Butova, V.V., Pankin, I.A., Shapovalov, V.V., Soldatov, A.V., Journal of Surface Investigation 2019 13 787-792 DOI: 10.1134/S1027451019050173 11) D.A. Guk, O.O. Krasnovskaya, N.S. Dashkova, D.A. Skvortsov, M.P. Rubtsova, V.P. Dyadchenko, E.S. Yudina, M.A. Kosarev, A.V. Soldatov, V.V. Shapovalov, A.S. Semkina, K.Y. Vlasova, V.I. Pergushov, R.R. Shafikov, A.A. Andreeva, M.Ya. Melnikov, N.V. Zyk, A.G. Majouga, E.K. Beloglazkina, Dalton Transactions 2018 47 (48) 17357-17366 DOI: 10.1039/c8dt03164a 12) I.A. Pankin, A.A. Guda, N.A. Tumanov, Ya. Filinchuk, K.A. Lomachenko, A.L. Bugaev, S.A. Guda, V.V. Shapovalov, C. Lamberti, A.V. Soldatov, Journal of Alloys and Compounds 2018 735 277-284 DOI: 10.1016/j.jallcom.2017.11.062 13) V.V.Shapovalov, A.A.Guda, N.V.Kosova, S.P.Kubrin, O.A.Podgornova, A.Aboraia, C.Lamberti, A.V.Soldatov, Radiation Physics and Chemistry 2018 DOI: 10.1016/j.radphyschem.2018.11.019 14) P.V. Medvedev, M.A. Soldatov, V.V. Shapovalov, A.A. Tereshchenko, I.E. Gorban’, A.G. Fedorenko, A.V. Soldatov, JETP Letters 2018 108 (5) 318–325 DOI: 10.1134/S0021364018170083 15) V. V. Shapovalov, A. A. Guda, I. A. Pankin, A. Pohl, A. V. Soldatov, Journal of Structural Chemistry 2018 59 (7) 1719–1725 DOI: 10.1134/S0022476618070272 16) L.V. Guda, A.N. Kravtsova, S.P. Kubrin, M.I. Mazuritsky, M.V. Kirichkov, Yu.V. Rusalyov, V.V. Shapovalov, A.V. Soldatov, Journal of Structural Chemistry 2018 59 (8) 1921-1928 DOI: 10.1134/S0022476618080140 |
| 3:55pm - 5:25pm | SMS-5: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Location: Club C Session Chair: Javier Perez Session Chair: Thomas Weiss Invited: Dina Schneidman (Israel), Thomas Grant (USA) |
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3:55pm - 4:00pm
ID: 1840 / SMS-5: 1 Introduction Oral/poster Introduction to session 4:00pm - 4:30pm
ID: 1136 / SMS-5: 2 Special Sessions Invited lecture to session Special sessions: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Keywords: small angle scattering; electron density; data analysis; algorithms; data validation and archival Representing low-resolution electron density maps from solution scattering data University at Buffalo, Buffalo, United States of America External Resource:
4:30pm - 5:00pm
ID: 1049 / SMS-5: 3 Special Sessions Invited lecture to session Special sessions: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving Keywords: protein dynamics, multi-state modeling Integrative modeling of structure and dynamics of macromolecules based on SAXS profiles and cross-linking mass spectrometry The Hebrew University of Jerusalem, Jerusalem, Israel |
| Date: Saturday, 21/Aug/2021 | |
| 10:20am - 12:45pm | MS-91: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Location: Club C Session Chair: Mitsuhiro Shibayama Session Chair: Jrjeng Ruan Invited: Julia Kornfield (USA), Christine M. Papadakis (Germany) |
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10:20am - 10:25am
ID: 1821 / MS-91: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1619 / MS-91: 2 Methods and instruments Invited lecture to session MS: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: stretch-blow molding; WS2NT; flow-induced crystallization; microdiffraction; SAXS/WAXS Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering Caltech, Pasadena, United States of America External Resource:
10:55am - 11:25am
ID: 1392 / MS-91: 3 All topics Invited lecture to session MS: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: polymer solutions, phase transition, time-resolved small-angle neutron scattering Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps 1Technical University of Munich, Garching, Germany; 2Institut Laue-Langevin, Grenoble France; 3University of Central Florida, Orlando FL. U.S.A. External Resource:
11:25am - 11:45am
ID: 1235 / MS-91: 4 All topics Oral/poster MS: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: Polyelectrolyte, Proton Conductivity, Neutron Reflectivity, Interface Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition 1Department of Applied Chemistry, Kyushu University, Fukuoka, Japan; 2Center for Polymer Interface and Molecular Adhesion Science, Kyushu University, Japan; 3Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society, Tokai, Japan; 4Materials and Life Science Division, J-PARC Center, Japan Atomic Energy Agency, Tokai, Japan; 5Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tokai, Japan; 6International Institute for Carbon-Neutral Energy Research (WPI-I2CNER), Kyushu University, Fukuoka, Japan External Resource:
11:45am - 12:05pm
ID: 910 / MS-91: 5 All topics Oral/poster MS: Crystallographic approaches for designing new framework materials (including post-synthetic modification), Total scattering, Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: in-situ, metal-organic frameworks, XPDF, crystallisation, metal cluster Exploring the formation of Hf metal-organic frameworks 1Department of Chemistry, University of Cambridge, United Kingdom; 2Department of Chemistry, University of Liverpool, UK; 3School of Chemistry, University of Birmingham, UK; 4Diamond Light Source, Harwell Campus, UK; 5School of Chemistry, University of Nottingham, Nottingham, United Kingdom External Resource:
12:05pm - 12:25pm
ID: 1231 / MS-91: 6 All topics Oral/poster MS: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: small-angle scattering, inverse scattering problem, spinodal decomposition, droplets Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation 1National Synchrotron RadiationResearch Center (NSRRC), Hsinchu, Taiwan; 2Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei, 10607, Taiwan External Resource:
12:25pm - 12:45pm
ID: 1262 / MS-91: 7 All topics Oral/poster MS: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches Keywords: SAXS, PEGylated liposomes, membrane structure, drug delivery SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles National Synchrotron Radiation Research Center, Hsinchu, Taiwan External Resource:
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| 2:45pm - 5:10pm | MS-98: 2D type crystals and their heterostructures Location: Club C Session Chair: Matteo Bosi Session Chair: Adela Rodríguez-Romero Invited: Eli Sutter (USA), Xinliang Feng (Germany) |
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2:45pm - 2:50pm
ID: 1832 / MS-98: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 705 / MS-98: 2 All topics Invited lecture to session MS: 2D type crystals and their heterostructures Keywords: layered 2D materials, nanowires, GeS, cathodoluminescence, nanobeam electron diffraction 1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials University of Nebraska-Lincoln, Lincoln, United States of America External Resource:
3:20pm - 3:50pm
ID: 1676 / MS-98: 3 Chemical crystallography, crystal structures Invited lecture to session MS: 2D type crystals and their heterostructures Keywords: graphene, organic crystalline materials, SMAIS method, 2D conjugated polymers Advances in organic 2D crystals Technische Universitaet Dresden, Dresden, Germany External Resource:
3:50pm - 4:10pm
ID: 794 / MS-98: 4 Chemical crystallography, crystal structures Oral/poster MS: Crystal chemistry with emerging technology, 2D type crystals and their heterostructures Keywords: 2D layered single crystals, double perovskite, crystal growth, crystal structure, electrical properties Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin 1Freiburg Materials Research Center FMF, Albert-Ludwigs-Universität Freiburg, Germany; 2Institute of Inorganic and Analytical Chemistry, Faculty of Chemistry and Pharmacy, Albert-Ludwigs-Universität Freiburg, Germany External Resource:
4:10pm - 4:30pm
ID: 801 / MS-98: 5 All topics Oral/poster MS: Structure solution and poorly crystalline materials, 2D type crystals and their heterostructures Keywords: HRXRD, X-ray micro CT, wafer bonding, microfabrication, Impulse Current Bonding (ICB) Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach 1Center for X-ray Analytics, Empa, Ueberlandstrasse 129, Dubendorf, Switzerland; 2Department of Chemistry, University of Fribourg, Avenue de l'Europe 20, 1700 Fribourg, Switzerland External Resource:
4:30pm - 4:50pm
ID: 288 / MS-98: 6 Bursary application Oral/poster MS: 2D type crystals and their heterostructures Keywords: Bilbao Crystallographic Server, symmetry, layer groups, layer and multilayer materials Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials 1Institute of Applied Geosciences, Karlsruhe Institute of Technology, Karlsruhe, Germany; 2Department of Physics Engineering, Hacettepe University, Ankara, Turkey; 3Departamento de Física de la Materia Condensada, Universidad del País Vasco UPV/EHU, Leioa, Spain; 4Laboratory of Quantum-size Heterostructures, Ioffe Institute, Saint Petersburg, Russia; 5Institute of Chemistry, Saint Petersburg State University, Saint Petersburg, Russia Bibliography
[1] Aroyo, M. I., Perez-Mato, J. M., Capillas, C., Kroumova, E., Ivantschev, S., Madariaga, G., Kirov, A. & Wondratschek H. (2006). Z. Krist. 221, 15-27. [2] Aroyo, M. I., Perez-Mato, J. M., Orobengoa, D., Tasci, E., de la Flor, G. & Kirov A (2011). Bulg. Chem. Commun. 43(2), 183-197. [3] International Tables for Crystallography Vol. E: Subperiodic-Groups (2002), edited by Kopský and D.B. Litvin. Dordrecht: Kluwer Academic Publischers. [4] de la Flor, G., Orobengoa, D., Evarestov, R. A., Kitaev, Y. E., Tasci, E. & Aroyo M. I. (2019). J. Appl. Cryst. 52, 1214-1221 External Resource:
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