화학공학소재연구정보센터
Journal of Chemical Physics, Vol.111, No.11, 5181-5190, 1999
Effects of the heterogeneous energetic topography on the collective motion of adsorbed particles
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 [Surf. Sci. 221, 394 (1989)]. The influence of the energetic correlation on the jump (D-J) 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.