Effects of the heterogeneous energetic topography on the collective motion of adsorbed particles

BULNES, F.M.; PEREYRA, V.; RICCARDO, J.L.; ZGRABLICH, G.

JOURNAL OF CHEMICAL PHYSICS

AMER INST PHYSICS

Año: 1999 vol. 111 p. 5181 - 5190

0021-9606

Collective surface diffusion of adsorbed particles on correlated heterogeneous surfaces is studied by Monte Carlo simulation, in the framework of the Kubo-Green theory. The energetic disordered surface is described through the dual site-bond model (DSBM) introduced by Mayagoitia et al. [Surf. Sci. 221, 394 (1989)]. The influence of the energetic correlation on the jump (DJ) and collective (D) diffusion coefficients is analyzed by simulating the coverage fluctuations in the grand canonical ensemble and the mean-square displacements of particles in the canonical ensemble. The topography is shown to strongly affect the coverage dependence of the transport coefficient. The effects of nearest-neighbor lateral interactions is also discussed. © 1999 American Institute of Physics.