Mean field theory studies of surface reactions on disordered substrates

Abstract

A mean field theory (MFT) in the site and pair approximations of a surface reaction system on a disordered substrate showing geometric heterogeneity is proposed, characterizing the substrate completely through the set {qi} of probabilities that a surface site has i neighbours that belong to the substrate in the model. The MFT results allow the interpretation of the Monte Carlo (MC) simulations carried out for the ZGB algorithm at instantaneous and finite rates over a series heterogeneous substrates corresponding to percolation clusters. The change in the character of the irreversible phase transitions (IPT) with the degree of disorder or branching of the substrate and its theoretical interpretation are analyzed.