An isotope effect in the quantum diffusion of H on Ni (001) was treated by using the path-centroid method for the transition rate, together with a potential that was fitted to first-principles calculations. At about room temperature, the results were in quantitative agreement with experimental results. At low temperatures, there was a transition to temperature-independent diffusion, but there was no sign of an anomalous isotope dependence.

Isotope Effect in Hydrogen Surface Diffusion. T.R.Mattsson, G.Wahnström: Physical Review B, 1997, 56[23], 14944-7