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Issue 24, 2017
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Vibronic quantized tunneling controlled photoinduced electron transfer in an organic solar cell subjected to an external electric field

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Abstract

In this work, vibration-resolved photoinduced electron transfer of an organic conjugated D⋯A system subjected to an external electric field was theoretically investigated. The ground and excited state vibrational relaxation energies were quantitatively characterized. The effective high frequency, ωeff, could be estimated from the variation in energy of the excited-state equilibrium geometries of acceptor and donor sites as well as the analysis of the vibrational modes upon electron transfer. For a PCDTBT:PC70BM blend in an external electric field, the vibronic modes affected the charge separation process differently from the charge recombination process. The simulated results indicated that the vibrational quantum tunneling effect facilitated the charge recombination process to a large extent. Thus, for electron transfer reactions, considering the vibrational excitation influence and perturbed nucleus–electron interactions is essential. These results provide a feasible way to enhance the efficiency in yielding the electron transfer process products.

Graphical abstract: Vibronic quantized tunneling controlled photoinduced electron transfer in an organic solar cell subjected to an external electric field

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Publication details

The article was received on 04 Apr 2017, accepted on 30 May 2017 and first published on 30 May 2017


Article type: Paper
DOI: 10.1039/C7CP02157G
Citation: Phys. Chem. Chem. Phys., 2017,19, 16105-16112
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    Vibronic quantized tunneling controlled photoinduced electron transfer in an organic solar cell subjected to an external electric field

    P. Song, Q. Zhou, Y. Li, F. Ma and M. Sun, Phys. Chem. Chem. Phys., 2017, 19, 16105
    DOI: 10.1039/C7CP02157G

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