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We present lattice-gas modeling of the steady-state behavior in CO oxidationon the facets of nanoscale metal clusters, with coupling via inter-facet COdiffusion. The model incorporates the key aspects of reaction process, such asrapid CO mobility within each facet, and strong nearest-neighbor repulsionbetween adsorbed O. The former justifies our use a "hybrid" simulation approachtreating the CO coverage as a mean-field parameter. For an isolated facet,there is one bistable region where the system can exist in either a reactivestate (with high oxygen coverage) or a (nearly CO-poisoned) inactive state.Diffusion between two facets is shown to induce complex multistability in thesteady states of the system. The bifurcation diagram exhibits two regions withbistabilities due to the difference between adsorption properties of thefacets. We explore the role of enhanced fluctuations in the proximity of a cuspbifurcation point associated with one facet in producing transitions betweenstable states on that facet, as well as their influence on fluctuations on theother facet. The results are expected to shed more light on the reactionkinetics for supported catalysts.

Catalytic CO oxidation on nanoscale Pt facets: Effect of interfacet CO diffusion on bifurcation and fluctuation behavior