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Updated: Jul 19, 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

Calculated phase diagrams for the electrochemical oxidation and reduction of water over Pt(111)

Jan Rossmeisl1, Jens K Nørskov, Christopher D Taylor

  • 1Center for Atomic-scale Materials Physics, NanoDTU, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark.

The Journal of Physical Chemistry. B
|October 27, 2006
PubMed

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