Atomic Resonant Tunneling in the Surface Diffusion of H Atoms on Pt(111)

The quantum motions of hydrogen (H) atoms play an important role in the dynamical properties and functionalities condensed-phase materials as well biological systems. In this work, based on transfer matrix method first-principles calculations, we study dynamics H a Pt(111) surface numerically calculate probability transferring across potential fields. Atomic resonant tunneling is demonstrated along number diffusion pathways. Owing to tunneling, anomalous rate predicted for certain path at low temperatures. nuclear effects reactions involving investigated, by analyzing probabilities barrier crossing. effective significantly reduced due it decreases monotonically with temperature within region. For barrier-crossing processes where van’t Hoff-Arrhenius type relation applies, show existence nonzero low-temperature limit constant, which indicates nontrivial activities H-involved cryogenic conditions.