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: 26th Nov 2022, 02:28:56pm CET

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Session Overview
Location: Club C
50 1st floor
Date: Sunday, 15/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Pierro Macchi, Dietmar Stalke

10:25am - 10:55am

Multi-determinant X-ray restrained wavefunction approaches

Alessandro Genoni

CNRS & University of Lorraine, Metz, France

10:55am - 11:25am

Spin resolved charge density and wave function refinements: the Mollynx/MoPro software

Mohamed SOUHASSOU1, Iurii KIBALIN2, Ariste Bolivard VOUFACK3, Peter BLAHA4, Claude LECOMTE1, Nicolas CLAISER1

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

11:25am - 11:45am

N-representable one-electron reduced density Matrices reconstruction at non-zero temperatures.

Yoann Levis Launay1, Jean-Michel Gillet2

1CentraleSupélec (Paris-Saclay University), Gif-sur-Yvette, France; 2Structures, Properties and Modeling of Solids, CentraleSupélec (Paris-Saclay University), Gif-sur-Yvette, France

11:45am - 12:05pm

Accurate refinement of hydrogen atoms positions through a quantum mechanical embedding scheme based on extremely localized molecular orbitals

Giovanni Macetti, Erna Katharina Wieduwilt, Alessandro Genoni

University of Lorraine & CNRS, Metz, France

12:05pm - 12:25pm

Relativistic Hirshfeld atom refinement of organo-gold(I) and organo-mercury(II) compounds.

Sylwia Pawlędzio1, Maura Malinska1, Florian Kleemiss2, Simon Grabowsky2, Krzysztof Woźniak1

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.

2:45pm - 5:10pmMS-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)

2:45pm - 2:50pm

Introduction to session

Angiolina Comotti, Ryotaro Matsuda

2:50pm - 3:20pm

Crystal Engineering of Ultramicroporous Materials

Michael John Zaworotko

University of Limerick, Limerick, Ireland

3:20pm - 3:50pm

The role of noncovalent interactions in the properties of porous compounds

Catharine Esterhuysen

Stellenbosch University, Stellenbosch, South Africa

3:50pm - 4:10pm

Direct observation of the xenon physisorption process in mesopores by combining in situ Anomalous Small-Angle X‑ray Scattering and X‑ray Absorption Spectroscopy

Armin Hoell1, Gericke Eike1,2, Wallacher Dirk1, Wendt Robert1, Greco Giorgia1, Krumrey Michael3, Raoux Simone1,4, Mascotto Simone5

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.

4:10pm - 4:30pm

Crystal engineered hybrid ultramicroporous materials for single-step ethylene purification from C2-CO2 ternary mixture

Soumya Mukherjee1, Michael J. Zaworotko2

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

4:30pm - 4:50pm

Gas adsorption and separation: tuning the channel electrostatics for CO2.

Charl Bezuidenhout, Jacopo Perego, Silvia Bracco, Piero Sozzani

University of Milano-Bicocca, Milano, Italy

Elucidation of CO2 adsorption process in a bis-pyrazolate based MOF through HR-PXRD

Stephanie Terruzzi1, Rebecca Vismara2, Simona Galli2, Valentina Colombo1

1University of Milan, Milan, Italy; 2Università degli studi dell'Insubria, Como, Italy

Date: Monday, 16/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Christopher Sumby, Michael John Zaworotko

10:25am - 10:55am

Flexible Metal-Organic Frameworks for Hydrogen Isotope Separation

Hoi Ri Moon

Department of Chemistry, Ulsan National Institute of Science and Technology, Ulsan, Korea, Republic of (South Korea)

10:55am - 11:25am

Novel composite platform: Biomolecules-incorporation for biocatalysis, separation and biopharmaceutical formulations

Yao Chen

Nankai University, Tianjin, China, People's Republic of

11:25am - 11:45am

Dynamic frameworks: the role of non-covalent interactions

Susan Ann Bourne

University of Cape Town, Cape Town, South Africa

11:45am - 12:05pm

Synthesis and structural properties of isostructural Zn(II) M12L8 poly-[n]-catenane using the 2,4,6-tris(4-pyridyl)benzene (TPB) ligand

Javier Marti-Rujas, Stefano Torresi, Antonino Famulari

Politecnico di Milano, Milan, Italy

12:05pm - 12:25pm

Cocrystallization, high pressure/low temperature behaviour and vapochromism in a family of aurophilic copper-gold supramolecular networks.

Emanuele Priola1, Nadia Curetti2, Domenica Marabello1, Jacopo Andreo3, Alessia Giordana1, Lorenza Operti1, Piera Benna2, Eliano Diana1

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

12:25pm - 12:45pm

Structural modifications occurring during the water sorption processes on a potential material for autonomous indoor humidity control

Patrice Kenfack Tsobnang1, Thiery Yannick Sakam Nchedoung1, Dominik Fröhlich2, Emrah Hastürk3, Florence Porcher4, Christoph Janiak3

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

2:45pm - 5:10pmMS-28: Theory and practice of supramolecular synthons in crystal engineering
Location: Club C
Session Chair: Seiji Tsuzuki
Session Chair: Alessia Bacchi

Invited: Jindrich Fanfrlik (Czech Republic), Berta Gomez-Lor (Spain)

2:45pm - 2:50pm

Introduction to session

Seiji Tsuzuki, Alessia Bacchi

2:50pm - 3:20pm

Modulation of halogen, chalcogen and pnictogen bonds by σ-hole tunning

Jindrich Fanfrlik

Institute of Organic Chemistry and Biochemistry of the CAS, Prague, Czech Republic

3:20pm - 3:50pm

Benzothiadiazole-based luminescent stimuli-responsive materials: The role of “2S–2N” square synthon on their supramolecular arrangement and switchable behaviour

Berta Gómez-Lor, Marcelo Echeverri

Instituto de Ciencia de Materiales de Madrid, Madrid, Spain

3:50pm - 4:10pm

Combining modified CCDC tools to predict multicomponent formation: co-crystals of nevirapine and benzoic derivatives

Rogeria Nunes Costa1, Duane Choquesillo-Lazarte2, Elna Pidcock3, Silvia Lucía Cuffini1, Lourdes Infantes4

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

4:10pm - 4:30pm

Gold(III) as an effective electrophilic site, namely coinage bond donor: assembly of AuCl4ˉ units into supramolecular anionic polymers

Giuseppe Resnati1, Andrea Daolio1, Andrea Pizzi1, Giancarlo Terraneo1, Maurizio Ursini1, Antonio Frontera2

1Politecnico di Milano, Milano, Italy; 2Universitat de les Illes Balears, Palma de Mallorca (Baleares), Spain

4:30pm - 4:50pm

Experimental and ab initio molecular dynamics study of hydrogen bond systems in selected crystals

Leszek M. Malec, Mateusz Z. Brela, Katarzyna M. Stadnicka

Faculty of Chemistry of Jagiellonian University in Kraków, Gronostajowa 2, 30-387 Kraków, Poland

4:50pm - 5:10pm

Thermally Actuating Multifunctional Molecular Crystals

Durga Prasad Karothu1, Rodrigo Ferreira1, Luca Catalano1, Ghada Dushaq2, Mahmoud Rasras2, Panče Naumov1

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

Date: Tuesday, 17/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Javier Sanchez-Benitez, Ovidiu Garlea

10:25am - 10:55am

Magnetic Phase diagram of alpha-RuCl3

Stephen Nagler, Christian Balz

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

10:55am - 11:25am

Striping of orbital-order with charge-disorder in optimally doped manganites

Mark Senn

University of Warwick, Coventry, United Kingdom

11:25am - 11:45am

Formation and ordering of orbital molecules in AV2O4 spinels

A. J. Browne1,2, J. P. Attfield2

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

11:45am - 12:05pm

Perovzalates: a family of perovskite-related oxalates

Rebecca Clulow1,2, Alasdair J. Bradford2,3, Stephen L. Lee3, Philip Lightfoot2

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

12:05pm - 12:25pm

Aurivillius oxyfluorides: nuclear and magnetic order and the role of the anion sublattice

Emma E. McCabe

Durham University, Durham, United Kingdom

12:25pm - 12:45pm

Intermartensitic transformation between modulated structures in Heusler Ni-Mn-Ga(-Fe) single crystals

Oleg Heczko1, Petr Veřtát1,2, MIlan Klicpera3, Oscar Fabelo4, Ladislav Straka1,3

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

Date: Wednesday, 18/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Roman Sibille, Geetha Balakrishnan

10:25am - 10:55am

Dimer physics in the frustrated Cairo pentagonal antiferromagnet Bi2Fe4O9

Ketty Beauvois1,2, Virginie Simonet3, Sylvain Petit4, Julien Robert3, Frédéric Bourdarot2, Marin Gospodinov5, Sacha Mukhin6, Rafik Ballou3, Vassil Skumryev7, Eric Ressouche2

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

10:55am - 11:25am

Characterizing the local charge density to determine complex magnetic correlations, and vice versa

Nicolas Gauthier

Stanford University & SLAC National Accelerator Laboratory, Stanford, California 94305, USA

11:25am - 11:45am

Magnetic structure and interactions in 2D layered van der Waals semiconductors CrPS4 and MnPSe3 probed with neutron scattering

Stuart Calder1, Amanda Haglund2, Yaohua Liu1, Daniel Pajerowski1, Huibo Cao1, Travis Williams1, Alexander Kolesnikov1, Vasile Garlea1, David Mandrus2

1Oak Ridge National Laboratory; 2University of Tennessee

11:45am - 12:05pm

Geometric frustration on the trillium lattice in a magnetic metal–organic framework

Johnathan M. Bulled1, Joseph A. M. Paddison2,3, Andrew Wildes4, Elsa Lhotel5, Breogan Pato-Doldan6, L. Claudia Gomez-Aguirre7, Paul J. Saines8, Andrew L. Goodwin1

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.

12:05pm - 12:25pm

Investigating Kosterlitz-Thouless physics in the triangular lattice antiferromagnet TmMgGaO4

Benjamin A. Frandsen1, Zhiling Dun2, Raju Baral1, Martin Mourigal2

1Brigham Young University, Provo, United States of America; 2Georgia Institute of Technology, Atlanta, United States of America

12:25pm - 12:45pm

Nanoscale distortions and ground state selection in geometrically frustrated magnets

Alexandros Lappas1, Benjamin Frandsen2, Emil Bozin3

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

2:45pm - 5:10pmMS-53: Function and application of porous crystals
Location: Club C
Session Chair: Karena Chapman
Session Chair: Fernando Uribe-Romo
2:45pm - 2:50pm

Introduction to session

Karena Chapman, Fernando Uribe-Romo

2:50pm - 3:20pm

Densely Packed UV-Visible Light Responsive Photocatalytic Pairs in Hexagonally Arrayed Silicate Nanochannels for Hydrogen Production

Je-Wei Chang1,2, An-Chung Su2, Ying−Huang Lai3, U−Ser Jeng1,2

1National Synchrotron Radiation Research Center (NSRRC), Hsinchu, Taiwan; 2National Tsing Hua University Department of Chemical Engineering; 3Tunghai University Department of Chemistry

3:20pm - 3:50pm

MOFs as hosts to analogues of complex magnetic phases

Emma H Wolpert1, François-Xaiver Coudert2, Andrew L Goodwin3

1Imperial College London, United Kingdom; 2Université Paris Sciences et Lettres, France; 3University of Oxford, Oxford, United Kingdom

3:50pm - 4:15pm

NMR crystallography of 2D and 3D assemblies of functional molecules

Martin Dracinsky, Guillaume Bastien, Carina Santos-Hurtado, Jiri Kaleta

Institute of Organic Chemistry and Biochemistry AS CR, Prague, Czech Republic

4:15pm - 4:40pm

From CO2 to dimethyl ether: mesostructured acidic oxides for methanol dehydration to design bifunctional catalysts

Fausto Secci1, Claudio Cara1, Elisabetta Rombi1, Marco Sanna Angotzi1, Sarah Lai2, Kai Skrodczky3, Nicola Pinna3, Mauro Mureddu2, Carla Cannas1

1University of Cagliari, Monserrato (CA), Italy; 2Sotacarbo SpA, Carbonia (SU), Italy; 3Humboldt University, Berlin, Germany

Date: Thursday, 19/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Juan Manuel Garcia-Ruiz, Giuseppe Falini

10:25am - 10:55am

Incoporation of amino acids into inorganic crystalline hosts: from biomineralization to bio-Inspired band gap engineering

Boaz Pokroy

Technion Israel Institute of Technology, Haifa, Israel

10:55am - 11:25am

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

11:25am - 11:45am

Crystal texture of mineral self-organized structures from soda lake water and their implication to early Earth and prebiotic chemistry

Melese Getenet, Juan Manuel García-Ruiz

Laboratorio de Estudios Cristalográficos, Instituto Andaluz de Ciencias de la Tierra, Consejo Superior de Investigaciones Científicas–Universidad de Granada, Granada, Spain

11:45am - 12:05pm

Structure and properties of coralline red alga: from helical configuration to alternating layers

Nuphar Bianco-Stein, Iryna Polishchuk, Boaz Pokroy

Technion, Haifa, Israel

12:05pm - 12:25pm

Non-destructive 3D orientational mapping of bone using diffractive X-ray tomography

Fredrik K. Mürer1, Sophie Sanchez2, Kristin Olstad3, Marco Di Michiel4, Basab Chattopadhyay1, Dag W. Breiby1,5

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.

1:00pm - 2:30pmECA - SIG-6: ECA - SIG-6 Instrumentation and Experiment
Location: Club C
2:45pm - 5:10pmMS-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)

2:45pm - 2:50pm

Introduction to session

Angelika Dorothea Rosa, Ulf Zastrau

2:50pm - 3:20pm

Unveiling the structural and electronic interplay in 3d and 4f/5d compounds at high-pressure

Virginia Monteseguro1, Juan Ángel Sans2, Vera Cuartero3, Javier Ruiz-Fuertes1, Catalin Popescu4, Fernando Rodríguez1

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

3:20pm - 3:50pm

Phase Transition Lowering and Melting in Dynamically-Compressed Silicon and Germanium at the LCLS

Emma Elizabeth McBride

SLAC National Accelerator Laboratory, Menlo Park, United States of America

3:50pm - 4:05pm

A new internally heated diamond anvil cell system for time resolved optical and x-ray measurements.

Yimin Mijiti1,2, Marco Perrri1, Jean Coquet2, Lucie Nataf2, Marco Minicucci1, Angela Trapananti1, Tetsuo Irifune3, Francois Baudelet2, Andrea Di Cicco1

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.

4:05pm - 4:20pm

EMA beamline status and its XRD prospects

Guilherme A. Calligaris, Marcos A. S. Eleotério, José C. Corsaletti Filho, Hugo H. V. L. Campos, Joel A. V. Mendonça, Carlos Doro, Audrey D. Grockowiak, Ulisses F. Kaneko, Ricardo D. dos Reis, Narcizo M. Souza-Neto

Brazilian Synchrotron Light Laboratory (LNLS - CNPEM), Campinas, Brazil

4:20pm - 4:35pm

Fast EXAFS measurement in piezo-driven single-crystal monochromatization scheme

Andrey Protsenko1,2, Alexander Blagov1,2, Anton Targonsky1,2, Yan Eliovich1,2, Alexander Rogachev2, Sergey Yakunin2, Michail Kovalchuk1,2

1FSRC “Crystallography & photonics” RAS; 2NRC "Kurchatov institute", Moscow, Russian Federation

4:35pm - 4:50pm

Unveiling the Structural Behavior under Pressure of Filled M0.5Co4Sb12 (M = K, Sr, La, Ce, and Yb) Thermoelectric Skutterudites

Joao Elias FIGUEIREDO SOARES RODRIGUES1, Javier Gainza2, Federico Serrano-Sánchez2, Mateus Ferrer3, Catalin Popescu4, José Alonso2

1ESRF, Grenoble, France; 2ICMM-Madrid, Spain; 3UFPel, Brazil; 4ALBA, Spain

4:50pm - 5:05pm

Towards higher densities of matter: ultra-high pre-compression in shock dynamic experiments

Anand Prashant Dwivedi1, Sylvain Petitgirard2, Karen Appel1, Erik Brambrink1, Zuzana Konôpková1, Marius Millot3, Thomas Preston1, Alessandra Ravasio4, Cornelius Strohm5, Ulf Zastrau1, Valerio Cerantola1

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

Date: Friday, 20/Aug/2021
10:20am - 12:45pmMS-76(59b): Crystal chemistry with emerging technology II
Location: Club C
Session Chair: Consiglia Tedesco
Session Chair: Toru Asahi
10:20am - 10:25am

Introduction to session

Consiglia Tedesco, Toru Asahi

10:25am - 10:55am

In situ study of chemical synthesis using high-energy X-ray diffraction on beamline I12 at Diamond Light Source

Oxana V. Magdysyuk, Thomas Connolley, Robert Atwood, Stefan Michalik

Diamond Light Source Ltd., Didcot, United Kingdom

10:55am - 11:25am

The solid-state chemistry of rhodium(I) pincer complexes under extreme conditions.

Alexandra Longcake, Jeremiah P. Tidey, Mark S. Senn, Adrian B. Chaplin

University of Warwick, Coventry, United Kingdom

11:25am - 11:45am

Insight into the Structural Variations of Fergusonite-Type Structures: Combined Experimental and Computational Studies

Bryce Mullens1, Maxim Avdeev1,2, Helen Brand3, Subrata Mondal4, Ganapathy Vaitheeswaran5, Brendan Kennedy1

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

11:45am - 12:05pm

Growth and spectroscopic studies of Na2W2O7 crystals doped with Ce+4 and Cr+3 ions, promising scintillation detectors of elementary particles

Veronika Grigorieva, Mariana Rakhmanova, Alexey Ryadun

Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, Russian Federation

12:05pm - 12:25pm

Correlation between structural studies and third order NLO properties of three new semi-organic compounds

Rim Benali-Cherif1, Radhwane Takouachet1, El-Eulmi Bendeif2, Nourredine Benali-Cherif3

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

12:25pm - 12:45pm

Structural, magnetic and optical properties study of tellurium–based: Sr3–xPbxFe2TeO9 (0 ≤ x ≤ 2.25) double perovskites

Abdelhadi El Hachmi1, Bouchaib Manoun1,2, Mohammed Sajieddine3, Peter Lazor4

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

1:00pm - 2:30pmECA-1: ECA EC meeting 2
Location: Club C
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA EC meeting

2:45pm - 3:50pmSMS-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)

2:45pm - 2:50pm

Introduction to session

Jasper Rikkert Plaisier, Dibyendu Bhattacharyya

2:50pm - 3:20pm

Operando X-ray Absorption Spectroscopy probing Dynamic Processes in Batteries

Moniek Tromp

University of Groningen, Groningen, Netherlands, The

3:20pm - 3:50pm

Operando diagnostics of cathode materials based on novel sodium iron titanites

Victor Vasilevich Shapovalov1, Alexander Alexandrovich Guda1, Vera Valerevna Butova1, Abdelaziz Mohamed Aboraia1, Igol Leonidovich Shukaev2, Alexander Vladimirovich Soldatov1

1Smart Materials Research Institute, Southern Federal University, Rostov-on-Don, Russian Federation; 2Department of Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

3:55pm - 5:25pmSMS-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)

3:55pm - 4:00pm

Introduction to session

Javier Perez

4:00pm - 4:30pm

Representing low-resolution electron density maps from solution scattering data

Thomas Grant

University at Buffalo, Buffalo, United States of America

4:30pm - 5:00pm

Integrative modeling of structure and dynamics of macromolecules based on SAXS profiles and cross-linking mass spectrometry

Dina Schneidman

The Hebrew University of Jerusalem, Jerusalem, Israel

Date: Saturday, 21/Aug/2021
10:20am - 12:45pmMS-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)

10:20am - 10:25am

Introduction to session

Mitsuhiro Shibayama, Jrjeng Ruan

10:25am - 10:55am

Metastable structures, interplay of sequential deformations, and interactions between tungsten disulfide nanotubes and poly(L-lactide) studied by in situ X-ray scattering

Julia Kornfield

Caltech, Pasadena, United States of America

10:55am - 11:25am

Kinetics of mesoglobule formation and disintegration in solutions of thermoresponsive polymers after fast pressure jumps

Christine Papadakis1, Bart-Jan Niebuur1, Leonardo Chiappisi2, Florian A. Jung1, Xiaohan Zhang1, Alfons Schulte3

1Technical University of Munich, Garching, Germany; 2Institut Laue-Langevin, Grenoble France; 3University of Central Florida, Orlando FL. U.S.A.

11:25am - 11:45am

Aggregation States and Proton Conductivity in Perfluorosulfonic Acid Thin Films under Humidity Condition

Daisuke Kawaguchi1,2, Shigeki Yonemori1, Yudai Ogata1, Noboru Miyata3, Tessei Yoshida3, Tsukasa Miyazaki3, Hiroyuki Aoki4,5, Keiji Tanaka1,2,6

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

11:45am - 12:05pm

Exploring the formation of Hf metal-organic frameworks

Francesca Catherine Firth1, Michael Gaultois2, Yue Wu2, Joshua Stratford3, Dean Keeble4, Clare Grey1, Matthew Cliffe5

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

12:05pm - 12:25pm

Transient Domain Structure of Coalescence-Induced Self-Organization in Droplet Phase Separation

Che-Min Chou1, Wei-Tsung Chuang1, Po-Da Hong2

1National Synchrotron RadiationResearch Center (NSRRC), Hsinchu, Taiwan; 2Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei, 10607, Taiwan

12:25pm - 12:45pm

SAXS-revealed nanostructures of poly(ethylene glycol)-grafted phospholipid vescicles

Chun-jen Su

National Synchrotron Radiation Research Center, Hsinchu, Taiwan

2:45pm - 5:10pmMS-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)

2:45pm - 2:50pm

Introduction to session

Matteo Bosi, Adela Rodríguez-Romero

2:50pm - 3:20pm

1D Nanowires of 2D Layered Materials: A New Frontier in Nanomaterials

Eli Sutter, Peter Sutter

University of Nebraska-Lincoln, Lincoln, United States of America

3:20pm - 3:50pm

Advances in organic 2D crystals

Xinliang Feng

Technische Universitaet Dresden, Dresden, Germany

3:50pm - 4:10pm

Crystal growth and characterisation of organic-inorganic lead-free 2D double perovskite for application in radiation sensin

Valeria Murgulov1, Catherine Schweinle2, Michael Daub1,2, Harald Hillebrecht1,2, Michael Fiederle1

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

4:10pm - 4:30pm

Determination of stress, cracks and defects density in crystals after wafer-bonding processes: a novel HRXRD – X-ray micro CT conjoint analytical approach

Aurelio Borzì1, Robert Zboray1, Simone Dolabella1,2, Alex Dommann1, Antonia Neels1,2

1Center for X-ray Analytics, Empa, Ueberlandstrasse 129, Dubendorf, Switzerland; 2Department of Chemistry, University of Fribourg, Avenue de l'Europe 20, 1700 Fribourg, Switzerland

4:30pm - 4:50pm

Crystallography online by the Bilbao Crystallographic Server: new computer tools for the study of layer and multi-layer materials

Gemma de la Flor1, Emre Tasci2, Luis Elcoro3, Gotzon Madriaga3, Juan Manuel Perez-Mato3, Yuri E. Kitaev4, Robert Evarestov5, Mois I. Aroyo3

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


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