Monte Carlo simulations of a surface reaction model showing spatio-temporal pattern formations and oscillations

Results of dynamic Monte Carlo simulations of a model for CO oxidation on a reconstructing Pt(100) surface are presented. A comparison is made between simulations that explicitly include surface diffusion of adsorbed CO and simulations without diffusion. Oscillatory behavior as well as spatio-tempor...

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Bibliographic Details
Published in:The Journal of chemical physics 1998-04, Vol.108 (14), p.5921-5934
Main Authors: Gelten, R. J., Jansen, A. P. J., van Santen, R. A., Lukkien, J. J., Segers, J. P. L., Hilbers, P. A. J.
Format: Article
Language:English
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Summary:Results of dynamic Monte Carlo simulations of a model for CO oxidation on a reconstructing Pt(100) surface are presented. A comparison is made between simulations that explicitly include surface diffusion of adsorbed CO and simulations without diffusion. Oscillatory behavior as well as spatio-temporal pattern formation are studied as a function of system size. In the absence of diffusion the amplitude of kinetic oscillations decreases with grid size and oscillations are not stable. Spatio-temporal patterns appear, as expected for an excitable medium. Such patterns become stabilized by structural substrate defects. The length scale of the patterns is in the order of 10–100 nm, the temporal period of the oscillations is around 200 seconds. Inclusion of diffusion stabilizes and synchronizes oscillations. Spatio-temporal features now appear with larger spatial dimensions.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.476003