Answers are grounded in this paper and cite their sources.
The isotope effect in quantum diffusion of H on Ni(001) is thoroughly treated using the path-centroid method for the transition rate combined with a potential fitted to first-principles calculations. Around room temperature, our results are in quantitative agreement with experimental results. At low temperatures, we find a transition to temperature-independent diffusion, but no signs of an anomalous isotope dependence.
No takes yet. Share an insight, caveat, or question.
Mattsson et al. (1997) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: