期刊
JOURNAL OF CHEMICAL PHYSICS
卷 143, 期 5, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4927237
关键词
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资金
- (U.S.) Air Force Office of Scientific Research (USAFOSR) PECASE award under AFOSR [FA9950-13-1-0157]
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. (C) 2015 AIP Publishing LLC.
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