Adsorbate surface diffusion: The role of incoherent tunneling in light particle motion

TL;DR

This paper investigates how incoherent tunneling influences the diffusion of light atoms like hydrogen on surfaces, using a quantum diffusion model and experimental data to understand the effects of surface coverage.

Contribution

It applies a quantum diffusion model to recent experimental data on atomic H and D on Pt(111), highlighting the role of incoherent tunneling and its dependence on surface coverage.

Findings

Tunneling rates increase as surface coverage decreases.

Friction coefficients align with literature values for similar adsorbates.

The extended model suggests coverage influences tunneling dynamics.

Abstract

The role of incoherent tunneling in the diffusion of light atoms on surfaces is investigated. With this purpose, a Chudley-Elliot master equation constrained to nearest neighbors is considered within the Grabert-Weiss approach to quantum diffusion in periodic lattices. This model is applied to recent measurements of atomic H and D on Pt(111), rendering friction coefficients that are in the range of those available in the literature for other species of adsorbates. A simple extension of the model has also been considered to evaluate the relationship between coverage and tunneling, and therefore the feasibility of the approach. An increase of the tunneling rate has been observed as the surface coverage decreases.