Lattice-gas study of the kinetics of catalytic conversion of NO-CO mixtures on rhodium surfaces

The kinetics of the catalytic reduction of NO by CO on Rh(111) was simulate d by using a lattice-gas model and a Monte Carlo algorithm. These simulatio ns were designed to incorporate some new experimental results, which reveal that the formation of a N-NO intermediate is necessary for molecular nitro gen production. The steady-state phase diagram for the overall NO reduction reaction was studied in terms of several parameters representing different reaction schemes. It was found that, under the assumptions made in the mod el, an Eley-Rideal mechanism which includes a NO(gas)+N(ads)-->N-2(gas)+O(a ds) step is absolutely necessary to be able to sustain a steady-state catal ytic regime. (C) 2001 American Institute of Physics.