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Cation interdiffusion control for 2D/3D heterostructure formation and stabilization in inorganic perovskite solar modules

Author

Listed:
  • Cheng Liu

    (Northwestern University
    École Polytechnique Fédérale de Lausanne (EPFL))

  • Yi Yang

    (Northwestern University
    École Polytechnique Fédérale de Lausanne (EPFL))

  • Jared D. Fletcher

    (Northwestern University)

  • Ao Liu

    (Northwestern University)

  • Isaiah W. Gilley

    (Northwestern University)

  • Charles Bruce Musgrave III

    (Northwestern University)

  • Zaiwei Wang

    (University of Toronto)

  • Huihui Zhu

    (Northwestern University)

  • Hao Chen

    (Northwestern University)

  • Robert P. Reynolds

    (Northwestern University)

  • Bin Ding

    (École Polytechnique Fédérale de Lausanne (EPFL))

  • Yong Ding

    (École Polytechnique Fédérale de Lausanne (EPFL))

  • Xianfu Zhang

    (Northwestern University
    École Polytechnique Fédérale de Lausanne (EPFL))

  • Raminta Skackauskaite

    (Kaunas University of Technology)

  • Haoyue Wan

    (Northwestern University
    University of Toronto)

  • Lewei Zeng

    (University of Toronto)

  • Abdulaziz S. R. Bati

    (Northwestern University)

  • Naoyuki Shibayama

    (Toin University of Yokohama)

  • Vytautas Getautis

    (Kaunas University of Technology)

  • Bin Chen

    (Northwestern University)

  • Kasparas Rakstys

    (Kaunas University of Technology)

  • Paul J. Dyson

    (École Polytechnique Fédérale de Lausanne (EPFL))

  • Mercouri G. Kanatzidis

    (Northwestern University)

  • Edward H. Sargent

    (Northwestern University
    University of Toronto
    Northwestern University)

  • Mohammad K. Nazeeruddin

    (École Polytechnique Fédérale de Lausanne (EPFL)
    Imam Abdulrahman Bin Faisal University)

Abstract

Inorganic perovskite solar cells could benefit from surface passivation using 2D/3D perovskite heterostructures. However, conventional spacer cations fail to exchange with the tightly bonded Cs cation in the inorganic perovskite to form 2D layers atop; or, when they do enable formation of a 2D layer, they migrate under heat, degrading device performance. Here we investigate the mechanisms behind 2D/3D heterostructure formation and stabilization. We find that 2D/3D heterostructure formation is driven by interactions between ammonium groups and [PbI6]4− octahedra. We thus incorporate electron-withdrawing fluorine to enhance inorganic–organic cation interdiffusion and promote heterostructure formation. We note that stability relies on interactions between the entire spacer cations and [PbI6]4− octahedra. We therefore introduce anchoring groups that double cation desorption energies, preventing cation migration at elevated temperatures. CsPbI3/(perfluoro-1,4-phenylene)dimethanammonium lead iodide heterostructures enable an efficiency of 21.6% and a maximum power point operating stability at 85 °C of 950 h. We demonstrate 16-cm2 modules with an efficiency of 19.8%.

Suggested Citation

  • Cheng Liu & Yi Yang & Jared D. Fletcher & Ao Liu & Isaiah W. Gilley & Charles Bruce Musgrave III & Zaiwei Wang & Huihui Zhu & Hao Chen & Robert P. Reynolds & Bin Ding & Yong Ding & Xianfu Zhang & Rami, 2025. "Cation interdiffusion control for 2D/3D heterostructure formation and stabilization in inorganic perovskite solar modules," Nature Energy, Nature, vol. 10(8), pages 981-990, August.
    • Handle: RePEc:nat:natene:v:10:y:2025:i:8:d:10.1038_s41560-025-01817-6
    DOI: 10.1038/s41560-025-01817-6
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