Abstract
The kinetics of the catalytic reduction of NO by CO on Rh(111) was simulated by using a Monte Carlo algorithm based on a lattice-gas model. The results reported here complement those reported before by incorporating new experimental results which reveal the formation of an N–NO intermediate as necessary for molecular nitrogen production as well as the formation of N-islands on the surface. The behavior of the steady-state phase diagram for the reaction is analyzed in terms of several parameters representing different reaction schemes. It is shown how the range of conditions under which the reaction can occur is influenced by the mechanism for the formation of the N–NO intermediate, by the growth of N surface islands, and by side steps such as NO surface diffusion and NO and CO desorption.
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