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Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells

Author

Listed:
  • Yifan Dong

    (Imperial College London)

  • Vasileios C. Nikolis

    (Technische Universität Dresden
    Heliatek GmbH)

  • Felix Talnack

    (Technische Universität Dresden)

  • Yi-Chun Chin

    (Imperial College London)

  • Johannes Benduhn

    (Technische Universität Dresden)

  • Giacomo Londi

    (University of Mons)

  • Jonas Kublitski

    (Technische Universität Dresden)

  • Xijia Zheng

    (Imperial College London)

  • Stefan C. B. Mannsfeld

    (Technische Universität Dresden)

  • Donato Spoltore

    (Technische Universität Dresden)

  • Luca Muccioli

    (University of Bologna)

  • Jing Li

    (CNRS, Grenoble INP, Institut Néel)

  • Xavier Blase

    (CNRS, Grenoble INP, Institut Néel)

  • David Beljonne

    (University of Mons)

  • Ji-Seon Kim

    (Imperial College London)

  • Artem A. Bakulin

    (Imperial College London)

  • Gabriele D’Avino

    (CNRS, Grenoble INP, Institut Néel)

  • James R. Durrant

    (Imperial College London
    Swansea University)

  • Koen Vandewal

    (Hasselt University)

Abstract

Organic solar cells usually utilise a heterojunction between electron-donating (D) and electron-accepting (A) materials to split excitons into charges. However, the use of D-A blends intrinsically limits the photovoltage and introduces morphological instability. Here, we demonstrate that polycrystalline films of chemically identical molecules offer a promising alternative and show that photoexcitation of α-sexithiophene (α-6T) films results in efficient charge generation. This leads to α-6T based homojunction organic solar cells with an external quantum efficiency reaching up to 44% and an open-circuit voltage of 1.61 V. Morphological, photoemission, and modelling studies show that boundaries between α-6T crystalline domains with different orientations generate an electrostatic landscape with an interfacial energy offset of 0.4 eV, which promotes the formation of hybridised exciton/charge-transfer states at the interface, dissociating efficiently into free charges. Our findings open new avenues for organic solar cell design where material energetics are tuned through molecular electrostatic engineering and mesoscale structural control.

Suggested Citation

  • Yifan Dong & Vasileios C. Nikolis & Felix Talnack & Yi-Chun Chin & Johannes Benduhn & Giacomo Londi & Jonas Kublitski & Xijia Zheng & Stefan C. B. Mannsfeld & Donato Spoltore & Luca Muccioli & Jing Li, 2020. "Orientation dependent molecular electrostatics drives efficient charge generation in homojunction organic solar cells," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
  • Handle: RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-18439-z
    DOI: 10.1038/s41467-020-18439-z
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    Cited by:

    1. Alexander N. Solodukhin & Yuriy N. Luponosov & Artur L. Mannanov & Petr S. Savchenko & Artem V. Bakirov & Maxim A. Shcherbina & Sergei N. Chvalun & Dmitry Yu. Paraschuk & Sergey A. Ponomarenko, 2021. "Branched Electron-Donor Core Effect in D-π-A Star-Shaped Small Molecules on Their Properties and Performance in Single-Component and Bulk-Heterojunction Organic Solar Cells †," Energies, MDPI, vol. 14(12), pages 1-14, June.
    2. Samuele Giannini & Wei-Tao Peng & Lorenzo Cupellini & Daniele Padula & Antoine Carof & Jochen Blumberger, 2022. "Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization," Nature Communications, Nature, vol. 13(1), pages 1-13, December.
    3. Marios Maimaris & Allan J. Pettipher & Mohammed Azzouzi & Daniel J. Walke & Xijia Zheng & Andrei Gorodetsky & Yifan Dong & Pabitra Shakya Tuladhar & Helder Crespo & Jenny Nelson & John W. G. Tisch & A, 2022. "Sub-10-fs observation of bound exciton formation in organic optoelectronic devices," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    4. Michael B. Price & Paul A. Hume & Aleksandra Ilina & Isabella Wagner & Ronnie R. Tamming & Karen E. Thorn & Wanting Jiao & Alison Goldingay & Patrick J. Conaghan & Girish Lakhwani & Nathaniel J. L. K., 2022. "Free charge photogeneration in a single component high photovoltaic efficiency organic semiconductor," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    5. Aniket Rana & Song Yi Park & Chiara Labanti & Feifei Fang & Sungyoung Yun & Yifan Dong & Emily J. Yang & Davide Nodari & Nicola Gasparini & Jeong–Il Park & Jisoo Shin & Daiki Minami & Kyung-Bae Park &, 2024. "Octupole moment driven free charge generation in partially chlorinated subphthalocyanine for planar heterojunction organic photodetectors," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    6. Yuang Fu & Tack Ho Lee & Yi-Chun Chin & Richard A. Pacalaj & Chiara Labanti & Song Yi Park & Yifan Dong & Hye Won Cho & Jin Young Kim & Daiki Minami & James R. Durrant & Ji-Seon Kim, 2023. "Molecular orientation-dependent energetic shifts in solution-processed non-fullerene acceptors and their impact on organic photovoltaic performance," Nature Communications, Nature, vol. 14(1), pages 1-12, December.

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