Abstract
General equations are formulated for calculating the chemical diffusion coefficient at finite coverages taking into account long-range jumps of adsorbed particles. The theory is accompanied by the molecular dynamics simulations of oxygen diffusion on W(001) at high temperatures (T ≅ 1000 K). At low and moderate coverages, long-range jumps are shown to have a small effect on the value of the diffusion coefficient. The “chain” mechanism of diffusion is also discussed briefly. This mechanism is shown to be negligible at least for the O/W(001) system.
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