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Updated: Jun 17, 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

Reaction mechanism of methanol decomposition on Pt-based model catalysts: a theoretical study

Cui-Yu Niu1, Jiao Jiao, Bin Xing

  • 1Department of Chemistry, Nankai University, Tianjin 300071, People's Republic of China.

Journal of Computational Chemistry
|January 19, 2010
PubMed

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