269 citations · 1.7k across the 35 of their papers we have counts for
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cond-mat.mtrl-sci2025
First-principles characterization of native defects and oxygen impurities in GaAs
Khang Hoang
We present a systematic investigation of native point defects and oxygen impurities in GaAs using hybrid functional calculations. Defects are characterized by their structural, ele…
cond-mat.mtrl-sci2025★ 1 cited
Hydrogen defects as probes of band alignment in metal-organic frameworks
Khang Hoang
Band alignment, namely the prediction of band-edge positions of semiconductors and insulators in aqueous solutions, is an important problem in physics and chemistry. Such a predict…
cond-mat.mtrl-sci2025★ 6 cited
Native defects, hydrogen impurities, and metal dopants in CeO
Khang Hoang, Michelle D. Johannes
Ceria (CeO) is a material of significant technological importance. A detailed understanding of the material's defect physics and chemistry is key to understanding and optimizin…