[HTML][HTML] Discovery of new materials using combinatorial synthesis and high-throughput characterization of thin-film materials libraries combined with computational …

A Ludwig - NPJ Computational Materials, 2019 - nature.com
This perspective provides an experimentalist's view on materials discovery in multinary
materials systems—from nanoparticles over thin films to bulk—based on combinatorial thin …

Intermetalloid and heterometallic clusters combining p-block (semi) metals with d-or f-block metals

RJ Wilson, N Lichtenberger, B Weinert… - Chemical …, 2019 - ACS Publications
Clusters have been the subject of intense investigations since their famous definition
launched by Cotton in 1963, and the area has expanded ever since. One obvious …

Materials under high pressure: a chemical perspective

KP Hilleke, T Bi, E Zurek - Applied Physics A, 2022 - Springer
At high pressure, the typical behavior of elements dictated by the periodic table—including
oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few—is …

High-pressure synthesis: a new frontier in the search for next-generation intermetallic compounds

JPS Walsh, DE Freedman - Accounts of chemical research, 2018 - ACS Publications
Conspectus The application of high pressure adds an additional dimension to chemical
phase space, opening up an unexplored expanse bearing tremendous potential for …

Computationally Directed Discovery of MoBi2

AB Altman, AD Tamerius, NZ Koocher… - Journal of the …, 2020 - ACS Publications
Incorporating bismuth, the heaviest element stable to radioactive decay, into new materials
enables the creation of emergent properties such as permanent magnetism …

Crystal Structure Determination from Powder Diffraction Patterns with Generative Machine Learning

EA Riesel, T Mackey, H Nilforoshan, M Xu… - Journal of the …, 2024 - ACS Publications
Powder X-ray diffraction (PXRD) is a cornerstone technique in materials characterization.
However, complete structure determination from PXRD patterns alone remains time …

Creating binary Cu–Bi compounds via high-pressure synthesis: a combined experimental and theoretical study

SM Clarke, M Amsler, JPS Walsh, T Yu… - Chemistry of …, 2017 - ACS Publications
Exploration beyond the known phase space of thermodynamically stable compounds into
the realm of metastable materials is a frontier of materials chemistry. The application of high …

Exploring the high-pressure materials genome

M Amsler, VI Hegde, SD Jacobsen, C Wolverton - Physical Review X, 2018 - APS
A thorough in situ characterization of materials at extreme conditions is challenging, and
computational tools such as crystal structural search methods in combination with ab initio …

[Co@Sn6Sb6]3−: An Off‐Center Endohedral 12‐Vertex Cluster

RJ Wilson, F Hastreiter, K Reiter… - Angewandte Chemie …, 2018 - Wiley Online Library
We report on the asymmetric occupation of a 12‐vertex cluster centered by a single metal
atom. Three salts of related intermetalloid cluster anions,[Co@ Sn6Sb6] 3−(1),[Co2 …

Bismuth as a reactive solvent in the synthesis of multicomponent transition-metal-bearing bismuthides

A Ovchinnikov, S Bobev - Inorganic Chemistry, 2019 - ACS Publications
Employment of liquid bismuth (Bi) allows the facile single-crystal growth of compounds
containing elements with high melting points, provided that these elements have reasonably …