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Updated: Aug 8, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Atomistic lattice-gas modeling of CO oxidation on Pd(100): temperature-programmed spectroscopy and steady-state

Da-Jiang Liu1, J W Evans

  • 1Ames Laboratory--U.S. Department of Energy, Iowa State University, Ames, Iowa 50011, USA. dajiang@fi.ameslab.gov

The Journal of Chemical Physics
|May 6, 2006
PubMed

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