Exploiting X-ray induced anisotropic lattice changes to improve intensity extraction in protein powder diffraction: Application to heavy atom detection

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Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment

Christoph Bostedt

Crystallization is a fundamental natural phenomenon and the ubiquitous physical process in materials science for the design of new materials. So far, experimental observations of the structural dynamics in crystallization have been mostly restricted to slo ...

National Academy of Sciences2021

Nanoscale Phase Segregation in Supramolecular π-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Marko Mladenovic, Dominik Józef Kubicki, Manuel Cordova, David Lyndon Emsley, Farzaneh Jahanbakhshi, Paramvir Ahlawat, Yuhang Liu, Brian Irving Carlsen, Jovana Milic, Rashmi Runjhun, Aditya Mishra, Michael Allan Hope

The use of layered perovskites is an important strategy to improve the stability of hybrid perovskite materials and their optoelectronic devices. However, tailoring their properties requires accurate structure determination at the atomic scale, which is a ...

2021

Methylammonium Triiodide for Defect Engineering of High-Efficiency Perovskite Solar Cells

Michael Graetzel, Jacques-Edouard Moser, Shaik Mohammed Zakeeruddin, Mounir Driss Mensi, Ursula Röthlisberger, Ulf Anders Hagfeldt, Thomas Paul Baumeler, Linfeng Pan, Paramvir Ahlawat, Claudia Esther Avalos, Essa Awadh R Alharbi, Pascal Alexander Schouwink, George Cameron Fish, Mathias Dankl, Bowen Yang, Felix Thomas Eickemeyer, Viktor Skorjanc, Anurag Krishna, Olivier Ouellette, Lukas Pfeifer

The defects present in metal halide perovskite are deleterious to both the performance and stability of photovoltaic devices. Consequently, there is an intense focus on developing defect mitigation strategies. Herein we report a facile strategy that employ ...

2021

A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ursula Röthlisberger, Ulf Anders Hagfeldt, Paramvir Ahlawat, Essa Awadh R Alharbi, Haizhou Lu

It is well established that the lack of understanding the crystallization process in a two-step sequential deposition has a direct impact on efficiency, stability, and reproducibility of perovskite solar cells. Here, we try to understand the solid-solid ph ...

2021

Importance of Nuclear Quantum Effects for NMR Crystallography

Michele Ceriotti, Venkat Kapil, Edgar Albert Engel

The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima in the potential ...

AMER CHEMICAL SOC2021

Microstructural Evolution Study of Fe-Mn-Al-C Steels Through Variable Thermomechanical Treatments

Roland Logé

The microstructural evolution of the two austenitic alloys Fe-20Mn-3Al-0.7C wt pct and Fe-20Mn-6Al-0.7C wt pct when different thermal and thermomechanical treatments are performed has been studied. To this end, a generic industrial die of 100 ton capacity ...

SPRINGER2021

Long-range magnetic ordering in Li2MnGeO4 and precursor short-range spin correlations

Irina Safiulina

Long-range magnetic ordering and short-range spin correlations in layered noncentrosymmetric orthogermanate Li2MnGeO4 were studied by means of polarized and unpolarized neutron scattering. The combined Rietveld refinement of synchrotron and neutron powder ...

2020

Neutron Diffraction and Diffraction Contrast Imaging for Mapping the TRIP Effect under Load Path Change

Helena Van Swygenhoven

The transformation induced plasticity (TRIP) effect is investigated during a load path change using a cruciform sample. The transformation properties are followed by in-situ neutron diffraction derived from the central area of the cruciform sample. Additio ...

MDPI2020

Novel photoelectric material of perovskite-like (CH3)(3)SPbI3 nanorod arrays with high stability

Mohammad Khaja Nazeeruddin, Tom Theodorus Antonius Lummen, Wei Liu

Organometallic halide perovskite materials make great achievements in optoelectronic fields, especially in solar cells, in which the organic cations contain amine components. However, the amine with N-H bonds is easily hydrolyzed with moisture in the air, ...

2021

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

Sofie Janas

Potassium chromium jarosite, KCr3(OH)(6)(SO4)(2) (Cr-jarosite), is considered a promising candidate to display spin liquid behavior due to the strong magnetic frustration imposed by the crystal structure. However, the ground state magnetic properties have ...

ROYAL SOC CHEMISTRY2020

The Role of Alkyl Chain Length and Halide Counter Ion in Layered Dion−Jacobson Perovskites with Aromatic Spacers

Michael Graetzel, Jacques-Edouard Moser, Joachim Maier, Jovana Milic, George Cameron Fish, Algirdas Ducinskas, Michael Allan Hope

Layered hybrid perovskites based on Dion−Jacobson phases are of interest to various optoelectronic applications. However, the understanding of their structure−property relationships remains limited. Here, we present a systematic study of Dion−Jacobson pero ...

2021