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 …
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 …
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
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 …
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
In the synthesis of inorganic materials, reactions often yield non-equilibrium kinetic
byproducts instead of the thermodynamic equilibrium phase. Understanding the competition …
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 …
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
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 …
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
Solid‐state synthesis from powder precursors is the primary processing route to advanced
multicomponent ceramic materials. Designing reaction conditions and precursors for …
multicomponent ceramic materials. Designing reaction conditions and precursors for …
Semi-supervised machine-learning classification of materials synthesis procedures
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 …
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
Collecting and analyzing the vast amount of information available in the solid-state
chemistry literature may accelerate our understanding of materials synthesis. However, one …
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 …
functional inorganic materials. A range of synthetic approaches have been used to shift solid …