The role of subsurface oxygen in oscillatory behaviour of CO + O2 reaction over Pd metal catalysts: Monte Carlo model

Abstract The statistical lattice model constructed for (CO+O 2 )/Pd reaction takes into account the change of surface properties due to the penetration of the adsorbed oxygen into subsurface layer. The model demonstrates the oscillations of the rate of CO 2 formation and the concentrations of the adsorbed species. Autowave processes on the model palladium surface accompany these oscillations. The existence of the reaction zone between the moving adsorbate islands characterised by the elevated concentration of the free active centres has been shown. The results obtained make it possible to interpret the surface processes on the atomic scale.