Dynamical Monte-Carlo simulation of surface kinetics

This work presents a theoretical model for surface reactions of atoms, in which all the elementary steps involved in surface atomic recombination are included. The system is modeled by a dynamical Monte Carlo scheme, as outlined in [1], where Monte Carlo time is related with real time. The Monte Carlo results are compared with those of a phenomenological model for the average fractional coverage of adsorption sites, based on a set of rate balance equations. The results of both models are shown to agree in the limit of low coverage of adsorption sites.