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- W2035370461 abstract "The interfacial electronic structure and dynamics of poly(3-hexylthiophene)/fullerene (C60 and [6,6]-phenyl-C61-butyric acid methyl ester) heterojunctions are studied by ab initio nonadiabatic molecular dynamics. These junctions render ultrafast electron transfer with a time-scale of ∼70 fs and the adiabatic electron transfer is the dominant process. The backward electron transfer, however, is much longer, in a time-scale of nanoseconds. The overall electron transfer is determined by the energy evolution driven by the coupled electron-ion dynamics." @default.
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- W2035370461 date "2011-02-21" @default.
- W2035370461 modified "2023-09-28" @default.
- W2035370461 title "Electron structure and dynamics at poly(3-hexylthiophene)/fullerene photovoltaic heterojunctions" @default.
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- W2035370461 doi "https://doi.org/10.1063/1.3559617" @default.
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