Predicting trends in rate parameters for self-diffusion on FCC metal surfaces

The hopping self diffusion coefficient of an adatom on the (1 0 0), (1 1 0) and (1 1 1) surfaces of nine FCC metals have been investigated using Monte Carlo variational transition state theory and the Lennard-Jones (L-J) interactions. The metals that have been studied are Ag, Al, Au, Cu, Ir, Ni, Pd,...

Ausführliche Beschreibung