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Nature Energy (2026)
Maximizing quasi-Fermi level splitting is essential for achieving high photovoltage in perovskite solar cells. Conventional strategies that prioritize rapid charge extraction at the perovskite/fullerene interface, can deplete interfacial carrier populations, limiting quasi-Fermi level splitting and photovoltage. Here we demonstrate that rational interface design benefits for slowed extraction rate, preserving interfacial carriers while minimizing non-radiative recombination. We introduce 3PDPA, a molecularly engineered electron-selective self-assembled monolayer at the perovskite/C60 interface. 3PDPA slows electron extraction, anchors undercoordinated Pb2+ ions and forms stable six-membered hydrogen-bonded rings with FA+ cations, delivering robust passivation and excellent chemical stability. 3PDPA further enables π–π interactions with C60, improving interfacial contact and reducing potential fluctuations. Inverted cells incorporating 3PDPA achieve efficiencies of 26.82% for 1.53 eV bandgap cells and 21.2% for 1.77 eV bandgap cells, alongside a T90 lifetime of ~1,000 h under International Summit on Organic Photovoltaic Stability (ISOS-L-3) stress conditions.
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This work was supported by the National Key R&D Program of China (2022YFA1404900) and the Natural Science Foundation of China (number 52473322). We thank the Core Facility of Wuhan University for assisting the NMR and single crystal diffraction measurement.
These authors contributed equally: Mubai Li, Yuanhang Yang, Sheng Li, Xiaotian Yang.
School of Physics and Technology, School of Microelectronics, Wuhan University, Wuhan, China
Mubai Li, Yuanhang Yang, Sheng Li, Xiaotian Yang, Yixuan Zheng, Siyang Cheng, Junjie Feng, Hao Li, Qiuhan Yu, Yong Liu, Shengjun Yuan, Qianqian Lin & Zhiping Wang
Wuhan Institute of Quantum Technology, Wuhan, China
Yuanhang Yang, Siyang Cheng, Shengjun Yuan & Zhiping Wang
College of Chemistry and Molecular Sciences, Wuhan University, Wuhan, China
Zhongchen Xu, Houguo Fei & Cunlan Guo
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The project was under the supervision of Z.W. M.L. and Z.W. and conceived the project and designed most of the experiments. M.L. synthesized the molecule. Y.Y. and M.L. performed the device preparation. S.L. prepared wide-bandgap devices. X.Y. performed DFT calculations under the supervision of S.Y. Y.Z. assisted in the synthesis of the molecule. S.C. performed the simulations with assistance of J.F. and contributed to the data analysis. H.L. assisted in testing the PLQY. Q.Y. assisted in testing KPFM. Z.X. tested the atomic force microscope. H.F. assisted in testing the polarized infrared spectroscopy under the supervision of C.G. Y.L. performed XPS measurement. Q.L. provided TA testing and analysed data. M.L. and Z.W. wrote the first draft of the paper. All the authors contributed to the revision of the paper.
Correspondence to Zhiping Wang.
The authors declare no competing interests.
Nature Energy thanks Yuanhang Cheng, Zonglong Zhu and the other, anonymous, reviewer(s) for their contribution to the peer review of this work.
Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Supplementary Figs. 1–35 and Tables 1 and 2.
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Li, M., Yang, Y., Li, S. et al. A molecularly engineered electron-selective self-assembled monolayer enhances quasi-Fermi level splitting in inverted perovskite solar cells. Nat Energy (2026). https://doi.org/10.1038/s41560-026-02025-6
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