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Updated: Apr 27, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Mechanistic insight into oxide-promoted palladium catalysts for the electro-oxidation of ethanol

Ulises Martinez1, Alexey Serov, Monica Padilla

  • 1Center for Emerging Energy Technologies, The University of New Mexico, 1 University of New Mexico-MSC01 1120, Albuquerque, NM 87131 (USA); Present Address: Materials Physics and Applications, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA).

Chemsuschem
|July 3, 2014
PubMed

Keywords:
IR spectroscopyelectrochemistryethanolfuel cellspalladium

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