Frictional effects near a metal surface

Wenjie Dou, Abraham Nitzan, Joseph E. Subotnik

Research output: Contribution to journalArticlepeer-review

Abstract

When a classical master equation (CME) is used to describe the nonadiabatic dynamics of a molecule at metal surfaces, we show that in the regime of reasonably strong molecule-metal couplings, the CME can be reduced to a Fokker-Planck equation with an explicit form of electronic friction. For a single metal substrate at thermal equilibrium, the electronic friction and random force satisfy the fluctuation-dissipation theorem. When we investigate the time scale for an electron transfer (ET) event between the molecule and metal surface, we find that the ET rates show a turnover effect (just as in Kramer's theory) as a function of frictional damping.

Original languageEnglish
Article number054103
JournalJournal of Chemical Physics
Volume143
Issue number5
DOIs
StatePublished - 7 Aug 2015

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