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- W244971954 abstract "We analyze a simple model for CO-oxidation on surfaces which incorporates both rapid diffusion of adsorbed CO, and superlattice ordering of adsorbed immobile oxygen. The adsorption sites are assumed to form a square lattice, and the superlattice ordering derives from an eight-site adsorption rule, wherein diatomic oxygen adsorbs dissociatively on diagonally adjacent empty sites, provided that none of the six additional neighboring sites are occupied by oxygen. A hybrid formalism is applied to implement the model. Adsorbed CO is assumed randomly distributed on sites not occupied by oxygen (which is justified if one neglects CO-CO and CO-0 adspecies interactions), and is thus treated within a mean-field framework. In contrast, the distribution of adsorbed oxygen is described within a lattice-gas framework. A comprehensive description of steady-state bifurcation behavior is provided using both conventional and constant-coverage ensemble Monte Carlo simulations. This behavior is compared with predictions of a suitable analytic pair-approximation. We show" @default.
- W244971954 created "2016-06-24" @default.
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- W244971954 date "2018-08-13" @default.
- W244971954 modified "2023-09-23" @default.
- W244971954 title "Stochastic models for surface adsorption and reaction processes" @default.
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- W244971954 doi "https://doi.org/10.31274/rtd-180813-13416" @default.
- W244971954 hasPublicationYear "2018" @default.
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