Heteroanionic materials by design: progress toward targeted properties

JK Harada, N Charles, KR Poeppelmeier… - Advanced …, 2019 - Wiley Online Library
The burgeoning field of anion engineering in oxide‐based compounds aims to tune physical
properties by incorporating additional anions of different size, electronegativity, and charge …

Soft Chemistry of Hard Materials: Low-Temperature Pathways to Bulk and Nanostructured Layered Metal Borides

LT Alameda, KJ Baumler, RR Katzbaer… - Accounts of Chemical …, 2023 - ACS Publications
Conspectus “Synthesis by design” is often considered to be the primary goal of chemists
who make molecules and materials. Synthetic chemists usually have in mind a target they …

Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

T He, H Huo, CJ Bartel, Z Wang, K Cruse, G Ceder - Science advances, 2023 - science.org
Synthesis prediction is a key accelerator for the rapid design of advanced materials.
However, determining synthesis variables such as the choice of precursor materials is …

The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides

M Bianchini, J Wang, RJ Clément, B Ouyang, P Xiao… - Nature materials, 2020 - nature.com
In the synthesis of inorganic materials, reactions often yield non-equilibrium kinetic
byproducts instead of the thermodynamic equilibrium phase. Understanding the competition …

Assessing thermodynamic selectivity of solid-state reactions for the predictive synthesis of inorganic materials

MJ McDermott, BC McBride, CE Regier… - ACS Central …, 2023 - ACS Publications
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there
is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We …

A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis

MJ McDermott, SS Dwaraknath, KA Persson - Nature communications, 2021 - nature.com
Accelerated inorganic synthesis remains a significant challenge in the search for novel,
functional materials. Many of the principles which enable “synthesis by design” in synthetic …

Observing and modeling the sequential pairwise reactions that drive solid‐state ceramic synthesis

A Miura, CJ Bartel, Y Goto, Y Mizuguchi… - Advanced …, 2021 - Wiley Online Library
Solid‐state synthesis from powder precursors is the primary processing route to advanced
multicomponent ceramic materials. Designing reaction conditions and precursors for …

Semi-supervised machine-learning classification of materials synthesis procedures

H Huo, Z Rong, O Kononova, W Sun, T Botari… - Npj Computational …, 2019 - nature.com
Digitizing large collections of scientific literature can enable new informatics approaches for
scientific analysis and meta-analysis. However, most content in the scientific literature is …

Similarity of precursors in solid-state synthesis as text-mined from scientific literature

T He, W Sun, H Huo, O Kononova, Z Rong… - Chemistry of …, 2020 - ACS Publications
Collecting and analyzing the vast amount of information available in the solid-state
chemistry literature may accelerate our understanding of materials synthesis. However, one …

Toward reaction-by-design: achieving kinetic control of solid state chemistry with metathesis

AJ Martinolich, JR Neilson - Chemistry of Materials, 2017 - ACS Publications
The control of solid state reaction pathways will enable the design and discovery of new
functional inorganic materials. A range of synthetic approaches have been used to shift solid …