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 language | English (US) |
|---|---|
| Article number | 054103 |
| Journal | Journal of Chemical Physics |
| Volume | 143 |
| Issue number | 5 |
| DOIs | |
| State | Published - Aug 7 2015 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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