[HTML][HTML] Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry

AS Anker, KT Butler, R Selvan, KMØ Jensen - Chemical Science, 2023 - pubs.rsc.org
The rapid growth of materials chemistry data, driven by advancements in large-scale
radiation facilities as well as laboratory instruments, has outpaced conventional data …

Charge makes a difference: molecular ionic bismuth compounds

J Heine, B Peerless, S Dehnen… - Angewandte Chemie …, 2023 - Wiley Online Library
Key challenges in modern synthetic chemistry include the design of reliable, selective, and
more sustainable synthetic methods, as well as the development of promising candidates for …

Chemical considerations for colloidal nanocrystal synthesis

J De Roo - Chemistry of Materials, 2022 - ACS Publications
We take here the perspective of a nanochemist on the field of colloidal nanocrystals,
focusing specifically on nanocrystal synthesis. Considering the three components of a …

[HTML][HTML] Extracting structural motifs from pair distribution function data of nanostructures using explainable machine learning

AS Anker, ETS Kjær, M Juelsholt… - npj Computational …, 2022 - nature.com
Abstract Characterization of material structure with X-ray or neutron scattering using eg Pair
Distribution Function (PDF) analysis most often rely on refining a structure model against an …

Exploring the Role of Cluster Formation in UiO Family Hf Metal–Organic Frameworks with in Situ X-ray Pair Distribution Function Analysis

FCN Firth, MW Gaultois, Y Wu… - Journal of the …, 2021 - ACS Publications
The structures of Zr and Hf metal–organic frameworks (MOFs) are very sensitive to small
changes in synthetic conditions. One key difference affecting the structure of UiO MOF …

Chemical Insights into the Formation of Colloidal Iridium Nanoparticles from In Situ X-ray Total Scattering: Influence of Precursors and Cations on the Reaction …

JK Mathiesen, J Quinson, S Blaseio… - Journal of the …, 2023 - ACS Publications
Iridium nanoparticles are important catalysts for several chemical and energy conversion
reactions. Studies of iridium nanoparticles have also been a key for the development of …

[HTML][HTML] Fatty acid capped, metal oxo clusters as the smallest conceivable nanocrystal prototypes

D Van den Eynden, R Pokratath, JP Mathew… - Chemical …, 2023 - pubs.rsc.org
Metal oxo clusters of the type M6O4 (OH) 4 (OOCR) 12 (M= Zr or Hf) are valuable building
blocks for materials science. Here, we synthesize a series of zirconium and hafnium oxo …

A Machine‐Learning‐Based Approach for Solving Atomic Structures of Nanomaterials Combining Pair Distribution Functions with Density Functional Theory

M Kløve, S Sommer, BB Iversen, B Hammer… - Advanced …, 2023 - Wiley Online Library
Determination of crystal structures of nanocrystalline or amorphous compounds is a great
challenge in solid‐state chemistry and physics. Pair distribution function (PDF) analysis of X …

Spatiotemporal Studies of Soluble Inorganic Nanostructures with X‐rays and Neutrons

JF Yin, L Amidani, J Chen, M Li, B Xue… - Angewandte Chemie …, 2024 - Wiley Online Library
This Review addresses the use of X‐ray and neutron scattering as well as X‐ray absorption
to describe how inorganic nanostructured materials assemble, evolve, and function in …

Structural Analysis and Intrinsic Enzyme Mimicking Activities of Ligand‐Free PtAg Nanoalloys

L Chen, L Klemeyer, M Ruan, X Liu, S Werner, W Xu… - Small, 2023 - Wiley Online Library
Nanozymes are nanomaterials with biocatalytic properties under physiological conditions
and are one class of artificial enzymes to overcome the high cost and low stability of natural …