Dynamic Monte Carlo simulation of oscillations and pattern formation during the NO + CO reaction on the Pt(1 0 0) surface

Theoretical simulations by a dynamic Monte Carlo method were carried out with respect to the catalytic reduction of NO by CO on the Pt(1 0 0) surface. This reaction, when occurring at low pressures and under certain reaction conditions, exhibits different temporal and spatiotemporal behaviors, caused by an adsorbate-induced surface restructuring. The studies herein developed take into account recent experimental evidences concerning the NO + CO reaction on the Rh(1 1 1) surface; such experiments have shown that the production of molecular nitrogen occurs preferentially via the formation of an (N–NO)* intermediary species rather than through the conventional N + N recombination step. Sustained, irregular or damped oscillations as well as the formation of cellular structures and turbulent patterns are observed during our Monte Carlo surface reaction analysis.

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