68 citations · 82 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2026
Competing adsorption of H and CO on Pd-alloy surfaces: Mechanistic insight into the mitigating effect of Cu on CO poisoning
Pernilla Ekborg-Tanner, Paul Erhart
Multi-component alloys offer broad tunability for addressing challenges in materials science, but their vast configurational space makes their surface chemistry highly sensitive to…
cond-mat.mtrl-sci2012★ 14 cited
Composition-dependent interatomic potentials: A systematic approach to modelling multicomponent alloys
B. Sadigh, P. Erhart, A. Stukowski +1
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can r…
cond-mat.mtrl-sci2010★ 68 cited
The Urbach tail in silica glass from first principles
Babak Sadigh, Paul Erhart, Daniel Åberg +3
We present density-functional theory calculations of the optical absorption spectra of silica glass for temperatures up to 2400 K. The calculated spectra exhibit exponential tails…