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

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

JOURNAL OF CHEMICAL PHYSICS

American Institute of Physics, AIP

Lugar: USA; 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.