Phys. Rev. Lett. 89, 016102 (2002) [4 pages]Adsorbate-Oxide Interactions during the NO+CO Reaction on MgO(100) Supported Pd Monolayer FilmsReceived 25 March 2002; published 17 June 2002 The potential energy diagram for the NO+CO reaction on 1, 2, and 3 monolayer (ML) Pd films supported by MgO(100) is calculated using density functional theory. Thin Pd films are generally found to be more reactive than thick films, with a notable exception for nitrogen adsorption on 2 ML Pd/MgO(100). For this system an attractive through-the-metal adsorbate-oxide interaction of 0.5 eV is identified. Nitrogen adsorption is consequently estimated to provide a thermodynamic driving force for the reconstruction of MgO(100) supported 3 ML (or thicker) Pd clusters into thinner Pd clusters. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.89.016102
DOI:
10.1103/PhysRevLett.89.016102
PACS:
82.65.+r, 68.43.Fg, 68.47.Jn, 82.45.Mp
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