654 citations · 2.6k across the 28 of their papers we have counts for
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Ternary Nitride Semiconductors in the Rocksalt Crystal Structure
Sage R. Bauers, Aaron Holder, Wenhao Sun +10
Inorganic nitrides with wurtzite crystal structures are well-known semiconductors used in optoelectronic devices. In contrast, rocksalt-based nitrides are known for their metallic…
Electron doping of proposed quantum spin liquid kagomé Zn-Cu hydroxyl-halides produces localized states in the band gap
Qihang Liu, Qiushi Yao, Z. A. Kelly +4
Carrier doping of quantum spin liquids is a long-proposed route to the emergence of high-temperature superconductivity. Electrochemical intercalation in kagome hydroxyl-halide mate…
The role of decomposition reactions in assessing first-principles predictions of solid stability
Christopher J. Bartel, Alan W. Weimer, Stephan Lany +2
The performance of density functional theory (DFT) approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determine…
A Map of the Inorganic Ternary Metal Nitrides
Wenhao Sun, Christopher Bartel, Elisabetta Arca +12
Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials s…
Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
Christopher J. Bartel, Samantha L. Millican, Ann M. Deml +7
The Gibbs energy, G, determines the equilibrium conditions of chemical reactions and materials stability. Despite this fundamental and ubiquitous role, G has been tabulated for onl…