Monte Carlo simulations of temperature-programmed desorption of CO from Rh(111)

Abstract

The temperature-programmed desorption (TPD) of CO from Rh(111) has been simulated using a Monte Carlo program. The effect of lateral interactions and the existence of different CO adsorbed species on the shape of the TPD spectra was studied. The results show that the type of lateral interaction (short range or long range) used in the simulation affects substantially the shape of the TPD spectrum and the influence that the C(2 × 2) to (√3 ×√3) R30° phase transition exerts on it.