Abstract
The behavior of hydrogen near a platinum-surface-adsorbed carbon monoxide molecule is described using a potential energy term constructed from density functional theory. A clear nonattractive interaction of hydrogen with CO is confirmed, most notably with oxygen, which retains its strong H-repulsive traits in the Pt-bound CO case. Inhibiting effects of CO greater than what is expected from simple adsorption site exclusion are discussed with regard to adsorption/desorption and mobility on platinum, as well as possibilities of COH and HCO formation.
Original language | English |
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Pages (from-to) | 6052-6057 |
Number of pages | 6 |
Journal | Physical Chemistry Chemical Physics |
Volume | 10 |
Issue number | 39 |
DOIs | |
Publication status | Published - Aug 2008 |
Externally published | Yes |