By using the lattice-gas model, and transition type-dependent Monte Carlo methods, the chemical surface diffusion coefficient was calculated (for nearest-neighbor repulsion and next-nearest neighbor attraction) directly from Fick’s first law. The results showed that the chemical diffusion coefficient depended upon the structure of the adsorbate layer. It was concluded that the presence of ordered domains would greatly reduce the chemical surface diffusion coefficient.

P.L.Cao, M.Qiu, L.Q.Lee: Journal of Physics - Condensed Matter, 1996, 8[10], 1335-43