Browsing Artículos científicos by Subject "CATALÍSIS"
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Electrochemical Hydrogen Oxidation on Pt(100): a Combined Direct Molecular Dynamics/Density Functional Theory Study
(Electrocatalysis, 2015-08-09)We have studied the hydrogen oxidation reaction on various catalytic sites at the water/Pt(100) interface with first-principles direct molecular dynamics and minimum energy pathway calculations. The calculations indicate ...