DGK Jahrestagung 2021

Material Package

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Sessions*

Bio-crystallography

Inorganic crystal structures

Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF

Spectroscopy

Extreme/non-ambient conditions

In situ / in operando studies

Inorganic functional materials

Energy materials: batteries, photovoltaics, etc.

Organic and metal-organic crystal structures

Framework structures: MOFs, COFs, etc.

Young crystallographers: Lightning talks

Micro and nano-crystalline materials

Quantum crystallography

Electron diffraction and electron microscopy

Charge density and highly correlated systems

Opening

Diffuse Scattering 3D PDF

Advanced instrumentation and data analysis

Highly correlated systems

Plenary talks

Include materials from selected sessions

Contributions*

2D layered perovskite micro-crystalline films as efficient X-Ray dosimeters (in session "Energy materials: batteries, photovoltaics, etc.")

3D Pair Distribution Function Analysis in Materials Science (in session "Plenary talks")

. (in session "Organic and metal-organic crystal structures")

. (in session "Young crystallographers: Lightning talks")

. (in session "Bio-crystallography")

. (in session "Extreme/non-ambient conditions")

. (in session "Energy materials: batteries, photovoltaics, etc.")

. (in session "Bio-crystallography")

. (in session "Energy materials: batteries, photovoltaics, etc.")

. (in session "Spectroscopy")

A Crystallographic and Spectroscopic Investigation of Photo-Induced Electron Transfer in Pyrene-(CH2)2-N,N’-Dimethylaniline: Time-Resolved Studies in Solutions and Polymorphic Crystals. (in session "Young crystallographers: Lightning talks")

A mineral with new loop-branched sechser single chains Khurayyimite Ca7Zn4(Si2O7)2(OH)10·4H2O (in session "Inorganic crystal structures")

A One-Dimensional Heterobimetallic Fe(III)/Hg(II) Coordination Polymer Linked by a Ditopic Pyrazole Substituted Acetylacetone (in session "Young crystallographers: Lightning talks")

A solid-state chemistry approach for bulk ZnSnN$_{2}$ at ambient pressure (in session "Energy materials: batteries, photovoltaics, etc.")

Ab initio structure determination of two new titanium phosphates synthesized via molten salt synthesis. (in session "Inorganic functional materials")

AK1 Meeting

AK2 Meeting

AK3 Meeting

AK6 Meeting

AK7 Meeting

AK20 Meeting

Amorphous–amorphous transition in SnI${}_4$ reexamined (in session "Extreme/non-ambient conditions")

An Anomalous Diffraction study of Cu2Zn(Ge,Si)Se4 (in session "Spectroscopy")

Analysis of potentially Ferroelectric Strontium Titanate Thin Films with Resonant X-ray Diffraction and Density Functional Theory (in session "Spectroscopy")

Analyzing Order of Light Anions in LiLa2NH2O by Neutron and X-Ray Powder Diffraction and Spectroscopy (in session "Inorganic functional materials")

Atomic resolution structure determination by cryo-EM – where are the limits? (in session "Plenary talks")

Bandgap tuning in ZnGeN2: Effective cation disorder control through oxygen incorporation. (in session "Inorganic functional materials")

Chaperone Compounds for Co-crystallization of Organics (in session "Organic and metal-organic crystal structures")

Charge density wave order in Pr2Ru3Ge5 (in session "Inorganic crystal structures")

Clamp Cells for High Pressure Neutron Scattering at Low Temperatures and High Magnetic Fields at the MLZ (in session "Advanced instrumentation and data analysis")

Closing

Combining Pair Distribution Function Mapping and Multivariate Statistic Analysis to Quantify Structures in Nanoscale Heterogeneous Amorphous Materials (in session "Electron diffraction and electron microscopy")

Coordination Polymers featuring Dibenzoyltartaric and Ditoluoyltartaric Acid: A different approach to a popular compound. (in session "Young crystallographers: Lightning talks")

Crystal structure and lattice dynamics of endotaxial FeSi$_2$ nanowires (in session "Micro and nano-crystalline materials")

Crystal structure of bacterial cytotoxic necrotizing factor CNFy reveals molecular building blocks for intoxication (in session "Bio-crystallography")

Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 (in session "Inorganic crystal structures")

Crystal Structures and Anisotropic Expansion of Coordination Compounds from the Mg(SCN)2 · x H2O/THF System (in session "Inorganic crystal structures")

Crystallization pathway control of Bi$_\text{2}$Fe$_\text{4}$O$_\text{9}$ studied by in situ Pair Distribution Function analysis (in session "In situ / in operando studies")

Dedicated X-ray diffraction setup for diamond anvil cell studies at the European X-ray free electron laser (in session "Extreme/non-ambient conditions")

DGK Ehrenabend

DGK General Assembly

Diffractometer portfolio at FRM II neutron source: status and perspectives (in session "Advanced instrumentation and data analysis")

Direct lock-in transition in 4-biphenylcarboxy substituted L-phenylalaninate crystals (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Discontinuous Three-component Self-assembly: A Leap from Simple Polymers to 3D Networks of Spherical Host-Guest Assemblies (in session "Framework structures: MOFs, COFs, etc.")

Disorder in layered tellurides Tt1Pn2Te4 (Tt = Ge, Sn, Pb; Pn = As, Sb, Bi) (in session "Inorganic crystal structures")

Dynamic disorder of fluoride anions in all-silica zeolites: Enhancing understanding with DFT-based molecular dynamics simulations (in session "Inorganic functional materials")

EasyAccess Frame - sliding puzzle inspired tool for eased crystal handling (in session "Bio-crystallography")

ELECTRON DIFFRACTION AND NANOCRYSTALLOGRAPHY: A DEVICE DEDICATED TO THE CRYSTALLOGRAPHIC COMMUNITY (in session "Electron diffraction and electron microscopy")

Encapsulation of inorganic nanoparticles into novel T. maritima encapsulin variants (in session "Young crystallographers: Lightning talks")

Exomorphism of Jacobsite Precipitates in Bixbyite Single Crystals from the Thomas Range in Utah (in session "Electron diffraction and electron microscopy")

Experimental Charge Densities of Minerals under Pressure (in session "Extreme/non-ambient conditions")

Exploring the Complex Structural Landscape and Potential Applications of Rare-Earth Metal–Organic Frameworks (in session "Plenary talks")

Facilities for Macromolecular Crystallography at the HZB (in session "Bio-crystallography")

Fascinating structures of magnetic materials (in session "Plenary talks")

First order CDW phase transitions in R2Ir3Si5 (R = Ho, Er, Lu) (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

First user experiments of the PERCIVAL soft X-ray imager (in session "Advanced instrumentation and data analysis")

Get-together: Young Crystallographers

Giant Supramolecules Meet Synchrotron Radiation: Experience with DESY P11 and P24 Beamlines (in session "Advanced instrumentation and data analysis")

High-pressure synthesis of novel yttrium nitride, Y5N14, at 50 GPa (in session "Inorganic crystal structures")

High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework (in session "Framework structures: MOFs, COFs, etc.")

Homoepitaxial growth of magnetite (Fe$_3$O$_4$) (001) (in session "In situ / in operando studies")

How Occupancy Disorder Impacts Magnetism in Topological Insulators (in session "Inorganic crystal structures")

Information Theory and Crystallography – a Fruitful Combination for Assessing Crystal Structure Complexity? (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Insitu X-ray analysis of misfit strain and curvature of bent polytypic InxGa1-xAs/GaAs core/shell nanowires (in session "In situ / in operando studies")

Lattice energies of all known Crystal Structures (in session "Organic and metal-organic crystal structures")

Luminescent Nitridoalumooxophosphates by High-Pressure / High-Temperature Synthesis (in session "Inorganic crystal structures")

Lunch Break Talk | Industry - DECTRIS

Lunch Break Talk | Industry - Excilium

Lunch Break Talk | Industry - Rigaku

Lunch break talk | Industry - SAES

Lunch Break Talk | Industry - SmarAct

Lunch Break Talk | Industry - STOE

MagStREXS: a Crystallograhic Software for Magnetic Structure Determination from Resonant Magnetic X-ray Diffraction Data (in session "Spectroscopy")

Massive X-ray screening against SARS-CoV-2 main protease (in session "Bio-crystallography")

Massive X-ray screening against SARS-CoV-2 main protease (in session "Plenary talks")

Max-von-Laue Award Lecture: From the perturbation of crystal symmetry towards functionality

Max-von-Laue Award Lecture: Self-organization of biomolecular building blocks and inorganic nanoparticles into biohybrid nanomaterials

MOFs of a O,P,N heterotritopic Ligand – One reaction, two networks – A topological analysis (in session "Young crystallographers: Lightning talks")

Molecular mechanisms of the bacterial DEAH/RHA NTPase HrpA and its role in antibiotics susceptibility (in session "Bio-crystallography")

Morphology and growth behavior of Cu nanoparticles on the vicinal ZnO(10-14) surface (in session "Micro and nano-crystalline materials")

Neutron protein crystallography at the Heinz Maier-Leibnitz Zentrum (MLZ): New developments and recent application examples (in session "Advanced instrumentation and data analysis")

New polarized neutron diffraction setup for precise investigations of magnetic structures up to 8 T at the MLZ (in session "Advanced instrumentation and data analysis")

Observing the oxidation of platinum under operando electrochemical conditions (in session "In situ / in operando studies")

Oxygen release from nanoporous perovskite oxides and its effect on thermal catalysis applications (in session "Energy materials: batteries, photovoltaics, etc.")

P11 Open Hutch Day

Poster session

Poster session

Probing ultrafast laser plasma processes inside solids with resonant small-angle X-ray scattering (in session "Extreme/non-ambient conditions")

Relativistic Hirshfeld atom refinement of an organo-gold(I) compound (in session "Quantum crystallography")

Research activities at the HZB-MX beamlines directed towards fighting SARS-CoV-2 (in session "Plenary talks")

Scattering is a powerful tool to follow nucleation and growth of minerals from solutions (in session "Micro and nano-crystalline materials")

Selective in-situ exsolution of catalytically active metals from doped perovskites during methane dry reforming (in session "In situ / in operando studies")

Self assembled monolayer of silica nanoparticles with improved order by drop casting (in session "Micro and nano-crystalline materials")

Single Crystal Diffraction Experiments under High Pressure with Hot Neutrons at MLZ (in session "Advanced instrumentation and data analysis")

Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Solid-solution modelling using first-principles methods: Case studies for (Cu,Ag)$_2$ZnSnSe$_4$ and (FA,Cs)PbI$_3$ (in session "Energy materials: batteries, photovoltaics, etc.")

Stabilization mechanisms of pure tetragonal zirconia nanocrystallites using an original supercritical-based synthesis route (in session "In situ / in operando studies")

Structural investigations of mixed anionic rare-earth and transition metals selenide oxides using synchrotron radiation (in session "Inorganic crystal structures")

Structural variations in RETe1.875–δ – distorted Te nets and chemical bonding (in session "Inorganic crystal structures")

Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design (in session "Bio-crystallography")

STRUCTURE-AMMONIA SENSING PROPERTY CORRELATION IN Sn1-xVxO2 MESOPOROUS NANOPARTICLES (in session "Inorganic functional materials")

Study on the anharmonicity of the lead-halide bond and effective pair potentials of chlorine-substituted CH3NH3PbI3 (in session "Energy materials: batteries, photovoltaics, etc.")

Surface modifications of ion- irradiated diamonds (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Termo- and Photo-induced Spin Crossover in a novel 2x2 iron (II) Grid. Crystallography and Photocrystallography studies (in session "Inorganic functional materials")

The application of mean field theory to single crystal diffuse scattering (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

The complexity of magnetic spin orders and dynamically disordered hydrogen bond networks in a hureaulite-type oxyhydroxide, Mn5[(PO4)2(PO3OH)2](HOH)4 (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

The Corona-year 2020 at Biodiffraction Beamline P11 (in session "Bio-crystallography")

The Coronavirus Structural Taskforce (in session "Bio-crystallography")

The Lanthanoid Oxoantimonate(III) Bromides $Ln$Sb$_2$O$_4$Br ($Ln$ = Eu – Tb): Synthesis, Crystal Structure and Luminescence (in session "Inorganic crystal structures")

The low-dimensional magnetic van der Waals compound FeOCl at extreme conditions: pressure and temperature induced phase transitions and structural evolution (in session "Extreme/non-ambient conditions")

The New PHOTON III Detector with Photon Counting in Mixed-Mode Detection (in session "Advanced instrumentation and data analysis")

The telluridogallates REGaTe2 (RE = La – Nd) (in session "Inorganic crystal structures")

Three-dimensional electron diffraction for structure and property analysis of metal-organic framework nanocrystals (in session "Electron diffraction and electron microscopy")

Three-Dimensional Mapping of Diffuse Scattering of Perfect Si (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Time-resolved diffraction experiments at an X-ray free electron laser reveal ultrafast structural changes within a photosynthetic reaction centre (in session "Plenary talks")

Tracking nerve-agent simulant decomposition in UiO-67 using in situ total scattering pair distribution function analysis (in session "Framework structures: MOFs, COFs, etc.")

Tracking the facet-resolved strain state of a PtRh nanoparticle under catalytic reaction conditions (in session "In situ / in operando studies")

Tunable bonding in the incipient metal thermoelectric GeTe (in session "Disordered Materials, complex crystal structures and aperiodic crystals, diffuse scattering and 3D-PDF")

Tuning the structural and electronic properties of strontium titanite thin films by Ni doping (in session "Energy materials: batteries, photovoltaics, etc.")

Understanding thermal exfoliation of h-BN using in situ X-ray diffraction (in session "In situ / in operando studies")

Water cluster structure in the MOF CAU-10-H: a powder diffraction perspective (in session "Framework structures: MOFs, COFs, etc.")

Include materials from selected contributions

Events scheduled on*

3/15/21

3/16/21

3/17/21

3/18/21

Include materials from sessions/contributions scheduled on the selected dates