Monte Carlo simulation of oscillations in the NO–H2 reaction on Pt(1 0 0) Original Research Article

We present Monte Carlo simulations of phase separation during kinetic oscillations in catalytic reactions accompanied by adsorbate-induced surface restructuring. As an example, we analyze the NO–H2 reaction on Pt(1 0 0). The lattice-gas model employed to describe surface restructuring and the reaction steps takes into account substrate–substrate, substrate–adsorbate and adsorbate–adsorbate lateral interactions. Using a reduced generic mechanism of the reaction, we show the type of spatio-temporal patterns which might be observed on the nm scale.