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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

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Protonation of O2 adsorbed on a Pt3 island supported on transition metal surfaces

Juan C Sotelo1, Jorge M Seminario

  • 1Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843-3122, USA.

The Journal of Chemical Physics
|August 7, 2009
PubMed

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