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No Decomposition On Transition Metals: A Monte Carlo Simulation

Author

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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)

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.

Suggested Citation

  • V. A. Bustos & G. Zgrablich, 1999. "No Decomposition On Transition Metals: A Monte Carlo Simulation," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 10(06), pages 1077-1087.
    • Handle: RePEc:wsi:ijmpcx:v:10:y:1999:i:06:n:s0129183199000887
    DOI: 10.1142/S0129183199000887
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