Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene-Fullerene Complex: Implications for Organic Solar Cells.

@article{Joseph2017ChargeTransferDI,
  title={Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene-Fullerene Complex: Implications for Organic Solar Cells.},
  author={Saju Joseph and Mahesh Kumar Ravva and Jean-Luc Br{\'e}das},
  journal={The journal of physical chemistry letters},
  year={2017},
  volume={8 20},
  pages={5171-5176}
}
We characterize the dynamic nature of the lowest excited state in a pentacene/C60 complex on the femtosecond time scale, via a combination of ab initio molecular dynamics and time-dependent density functional theory. We analyze the correlations between the molecular vibrations of the complex and the oscillations in the electron-transfer character of its lowest excited state, which point to vibration-induced coherences between the (pentacene-based) local-excitation (LE) state and the complex… CONTINUE READING
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