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Updated: Jun 19, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters

Katarzyna A Kacprzak1, Jaakko Akola, Hannu Häkkinen

  • 1Department of Physic, Nanoscience Center, FI-40014 University of Jyväskylä, PO Box 35, Finland.

Physical Chemistry Chemical Physics : PCCP
|October 8, 2009
PubMed

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