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Assessing the nature of the charge-transfer electronic states in organic solar cells

Author

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  • Xian-Kai Chen

    (School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology)

  • Veaceslav Coropceanu

    (School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology)

  • Jean-Luc Brédas

    (School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology)

Abstract

The charge-transfer electronic states appearing at the donor-acceptor interfaces in organic solar cells mediate exciton dissociation, charge generation, and charge recombination. To date, the characterization of their nature has been carried out on the basis of models that only involve the charge-transfer state and the ground state. Here, we demonstrate that it is essential to go beyond such a two-state model and to consider explicitly as well the electronic and vibrational couplings with the local absorbing state on the donor and/or acceptor. We have thus developed a three-state vibronic model that allows us: to provide a reliable description of the optical absorption features related to the charge-transfer states; to underline the erroneous interpretations stemming from the application of the semi-classical two-state model; and to rationalize how the hybridization between the local-excitation state and charge-transfer state can lead to lower non-radiative voltage losses and higher power conversion efficiencies.

Suggested Citation

  • Xian-Kai Chen & Veaceslav Coropceanu & Jean-Luc Brédas, 2018. "Assessing the nature of the charge-transfer electronic states in organic solar cells," Nature Communications, Nature, vol. 9(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:9:y:2018:i:1:d:10.1038_s41467-018-07707-8
    DOI: 10.1038/s41467-018-07707-8
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    Cited by:

    1. Yuanyuan Jiang & Yixin Li & Feng Liu & Wenxuan Wang & Wenli Su & Wuyue Liu & Songjun Liu & Wenkai Zhang & Jianhui Hou & Shengjie Xu & Yuanping Yi & Xiaozhang Zhu, 2023. "Suppressing electron-phonon coupling in organic photovoltaics for high-efficiency power conversion," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    2. Anna Jungbluth & Eunkyung Cho & Alberto Privitera & Kaila M. Yallum & Pascal Kaienburg & Andreas E. Lauritzen & Thomas Derrien & Sameer V. Kesava & Irfan Habib & Saied Md Pratik & Natalie Banerji & Je, 2024. "Limiting factors for charge generation in low-offset fullerene-based organic solar cells," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    3. Jing Wang & Xudong Jiang & Hongbo Wu & Guitao Feng & Hanyu Wu & Junyu Li & Yuanping Yi & Xunda Feng & Zaifei Ma & Weiwei Li & Koen Vandewal & Zheng Tang, 2021. "Increasing donor-acceptor spacing for reduced voltage loss in organic solar cells," Nature Communications, Nature, vol. 12(1), pages 1-9, December.
    4. Hongbo Wu & Hao Lu & Yungui Li & Xin Zhou & Guanqing Zhou & Hailin Pan & Hanyu Wu & Xunda Feng & Feng Liu & Koen Vandewal & Wolfgang Tress & Zaifei Ma & Zhishan Bo & Zheng Tang, 2024. "Decreasing exciton dissociation rates for reduced voltage losses in organic solar cells," Nature Communications, Nature, vol. 15(1), pages 1-11, December.

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