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Title: Frictional effects near a metal surface

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.
Authors:
;  [1] ;  [2]
  1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States)
  2. School of Chemistry, The Sackler Faculty of Science, Tel Aviv University, Tel Aviv 69978 (Israel)
Publication Date:
OSTI Identifier:
22493480
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 5; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DAMPING; ELECTRON TRANSFER; FLUCTUATIONS; FOKKER-PLANCK EQUATION; FRICTION; METALS; MOLECULES; RANDOMNESS; SUBSTRATES; SURFACES; THERMAL EQUILIBRIUM