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Molecular engineering of contact interfaces for high-performance perovskite solar cells

Nature Reviews Materials volume 8, pages 89–108 (2023)Cite this article

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Abstract

Metal-oxide-based charge-transport layers have played a pivotal role in the progress of perovskite solar cells. Yet metal-oxide/perovskite interfaces are often highly defective, owing to both metal-oxide and perovskite surface defects. This results in non-radiative recombination and impedes charge transfer. Moreover, during operation, such interfaces may suffer from undesirable chemical reactions and mechanical delamination issues. Solving this multifaceted challenge requires a holistic approach to concurrently address the interfacial defect, charge-transfer, chemical stability and delamination issues, to bring perovskite solar cell technology closer to commercialization. With this motivation, we review and discuss the issues associated with the metal-oxide/perovskite interface in detail. With this knowledge at hand, we then suggest solutions based on molecular engineering for many, if not all, challenges that encumber the metal-oxide/perovskite interface. Specifically, in light of the semiconducting and ultrafast charge-transfer properties of dyes and the recent success of self-assembled monolayers as charge-selective contacts, we discuss how such molecules can potentially be a promising solution for all metal-oxide/perovskite interface issues.

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Fig. 1: The emergence of PSCs, and generic structures of MFDs and MCDs.
Fig. 2: Properties and performance of various metal-oxide charge-transport layers.
Fig. 3: Metal-oxide and perovskite defects, and their passivation with SAMs.
Fig. 4: Recombination processes at metal-oxide/perovskite interfaces.
Fig. 5: Charge-transfer mechanisms and dipole moment of metal-oxide/dye SAM contacts.
Fig. 6: Chemical reactions at metal-oxide/perovskite interfaces.
Fig. 7: Mechanical stress and its alleviation at metal-oxide/perovskite interfaces.

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Acknowledgements

This work was supported by the King Abdullah University of Science and Technology (KAUST) under award numbers OSR-2021-4833, OSR-CARF/CCF-3079, IED OSR-2019-4580, IED OSR-2019-4208, OSR-CRG2020-4350 and CRG2019-4093.

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  1. KAUST Solar Center, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal, Kingdom of Saudi Arabia

    Furkan H. Isikgor, Shynggys Zhumagali, Luis V. T. Merino, Michele De Bastiani, Iain McCulloch & Stefaan De Wolf

  2. Department of Chemistry, University of Oxford, Oxford, UK

    Iain McCulloch

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Isikgor, F.H., Zhumagali, S., T. Merino, L.V. et al. Molecular engineering of contact interfaces for high-performance perovskite solar cells. Nat Rev Mater 8, 89–108 (2023). https://doi.org/10.1038/s41578-022-00503-3

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