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Updated: Jun 8, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Metallic corner atoms in gold clusters supported on rutile are the dominant active site during water-gas shift

W Damion Williams1, Mayank Shekhar, Wen-Sheng Lee

  • 1School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907, USA.

Journal of the American Chemical Society
|September 22, 2010
PubMed

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