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Updated: May 23, 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

New insight into mechanisms in water-gas-shift reaction on Au/CeO2(111): a density functional theory and kinetic

Ying Chen1, Haifeng Wang, Robbie Burch

  • 1School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG, UK.

Faraday Discussions
|March 30, 2012
PubMed

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