Coadsorbed H and CO interaction on platinum.
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.
Roman
Tanglaw
T
Division of Precision Science & Technology and Applied Physics, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, Japan.
Nakanishi
Hiroshi
H
Kasai
Hideaki
H
D000327:Adsorption; D002248:Carbon Monoxide / Q000737:chemistry*; D003198:Computer Simulation; D006859:Hydrogen / Q000737:chemistry*; D008956:Models, Chemical; D010316:Particle Size; D010984:Platinum / Q000737:chemistry*; D013499:Surface Properties
D010984:Platinum; D002248:Carbon Monoxide; D006859:Hydrogen