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Updated: Aug 24, 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

Density-functional based modeling of the intermediate in the water production reaction on Pt(111)

G S Karlberg1, G Wahnström

  • 1Department of Applied Physics, Chalmers/Göteborg University, SE-41296 Göteborg, Sweden.

Physical Review Letters
|April 20, 2004
PubMed

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