A theoretical framework to study chemical dynamics triggered by inelastic, resonance-mediated electron transfer in tip-adsorbate-substrate junctions was developed. The framework was applied to the prototypical H/Si desorption problem in the energy regime of the σ → σ* transition. An electronic lifetime of τ≈1.2 fs was extracted by fitting the theoretical results to measured yield versus voltage curves. Consistent with previous conclusions, τ was found insensitive to the substrate temperature within the limited range probed.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry