Coadsorbed H and CO interaction on platinum

Phys Chem Chem Phys. 2008 Oct 21;10(39):6052-7. doi: 10.1039/b806186f. Epub 2008 Aug 21.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adsorption
  • Carbon Monoxide / chemistry*
  • Computer Simulation
  • Hydrogen / chemistry*
  • Models, Chemical
  • Particle Size
  • Platinum / chemistry*
  • Surface Properties

Substances

  • Platinum
  • Carbon Monoxide
  • Hydrogen