NO DECOMPOSITION ON TRANSITION METALS: A MONTE CARLO SIMULATION

V. A. Bustos () and G. Zgrablich
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V. A. Bustos: Laboratorio de Ciencias de Superficies y Medios Porosos and Departamento de Física, Universidad Nacional de San Luis, CONICET, Chacabuco 917, 5700 San Luis, Argentina
G. Zgrablich: Laboratorio de Ciencias de Superficies y Medios Porosos and Departamento de Física, Universidad Nacional de San Luis, CONICET, Chacabuco 917, 5700 San Luis, Argentina

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 06, 1077-1087

Abstract: The kinetics of NO decomposition on transition metals is studied through Monte Carlo simulation, including the effects of adsorbate-adsorbate interactions and of surface energetic heterogeneity. For a homogeneous surface, it is found that previous quasi-chemical approximation calculations are reasonably in agreement with Monte Carlo results except for strong repulsive interactions. In this last case, quasi-chemical predictions largely overestimate the decomposition rate. It is found that energetic heterogeneity introduces interesting behaviors which depend on the energetic topography considered.

Keywords: NO decomposition; Chemical kinetics; Surface reactions (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199000887

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