Thank you for visiting nature.com. You are using a browser version with limited support for CSS. To obtain the best experience, we recommend you use a more up to date browser (or turn off compatibility mode in Internet Explorer). In the meantime, to ensure continued support, we are displaying the site without styles and JavaScript.
Advertisement
Nature Materials (2026)
The development of efficient inverted perovskite solar cells has been propelled by the adoption of self-assembled monolayers as hole-selective contacts. Nevertheless, the durability of such devices is still hampered by the vulnerability of conventional carbazole molecules to ultraviolet (UV) damage and thermal instability of phosphonic acid anchors. Through spacer-group engineering in the benchmark molecule MeO-2PACz, we elucidated two distinct degradation pathways, with photodegradation occurring in non-conjugated linkages and thermal degradation in conjugated structures. These insights enabled rational design of a novel molecule MP3, which integrates both conjugated and non-conjugated spacer motifs with an electron-withdrawing substituent. This redesigned structure suppressed UV-induced N-dealkylation and thermally driven anhydride formation while enhancing substrate binding via modulated acid dissociation. MP3-based perovskite solar cells achieved a certified efficiency of 27.1% and showed exceptional stability: retaining 93.2% of their initial efficiency after 1,000 h of UV exposure, 91.1% after 100 °C thermal ageing (1,000 h) and 94.8% after 2,200 h of maximum power point tracking at 65 °C.
This is a preview of subscription content, access via your institution
Access Nature and 54 other Nature Portfolio journals
Get Nature+, our best-value online-access subscription
$32.99 / 30 days
cancel any time
Subscribe to this journal
Receive 12 print issues and online access
$259.00 per year
only $21.58 per issue
Buy this article
USD 39.95
Prices may be subject to local taxes which are calculated during checkout
The data supporting the findings of this study are available within the article and its Supplementary Information. Source data are provided with this paper.
Snaith, H. J. Present status and future prospects of perovskite photovoltaics. Nat. Mater. 17, 372–376 (2018).
Article CAS PubMed Google Scholar
Park, S. M. et al. Low-loss contacts on textured substrates for inverted perovskite solar cells. Nature 624, 289–294 (2023).
Article CAS PubMed Google Scholar
Lin, R. et al. All-perovskite tandem solar cells with improved grain surface passivation. Nature 603, 73–78 (2022).
Article CAS PubMed Google Scholar
Azmi, R. et al. Double-side 2D/3D heterojunctions for inverted perovskite solar cells. Nature 628, 93–98 (2024).
Article CAS PubMed Google Scholar
Shen, Z. et al. Precise synthesis of advanced polyarylamines for efficient perovskite solar cells. Nat. Mater. 24, 1450–1456 (2025).
Article CAS PubMed Google Scholar
Wang, Y. et al. Teaching an old anchoring group new tricks: enabling low-cost, eco-friendly hole-transporting materials for efficient and stable perovskite solar cells. J. Am. Chem. Soc. 142, 16632–16643 (2020).
Article CAS PubMed Google Scholar
He, R. et al. Improving interface quality for 1-cm2 all-perovskite tandem solar cells. Nature 618, 80–86 (2023).
Article CAS PubMed Google Scholar
Zhao, K. et al. Peri-fused polyaromatic molecular contacts for perovskite solar cells. Nature 632, 301–306 (2024).
Article CAS PubMed Google Scholar
Al-Ashouri, A. et al. Conformal monolayer contacts with lossless interfaces for perovskite single junction and monolithic tandem solar cells. Energy Environ. Sci. 12, 3356–3369 (2019).
Article CAS Google Scholar
Li, Z. et al. Stabilized hole-selective layer for high-performance inverted p–i–n perovskite solar cells. Science 382, 284–289 (2023).
Article CAS PubMed Google Scholar
Qu, G. et al. Conjugated linker-boosted self-assembled monolayer molecule for inverted perovskite solar cells. Joule 8, 2123–2134 (2024).
Article CAS Google Scholar
Magomedov, A. et al. Self-assembled hole transporting monolayer for highly efficient perovskite solar cells. Adv. Energy Mater. 8, 1801892 (2018).
Article Google Scholar
Jiang, W. et al. π-Expanded carbazoles as hole-selective self-assembled monolayers for high-performance perovskite solar cells. Angew. Chem. Int. Ed. 134, e202213560 (2022).
Article Google Scholar
Paniagua, S. A. et al. Phosphonic acids for interfacial engineering of transparent conductive oxides. Chem. Rev. 116, 7117–7158 (2016).
Article CAS PubMed Google Scholar
Li, M., Liu, M., Qi, F., Lin, F. R. & Jen, A. K.-Y. Self-assembled monolayers for interfacial engineering in solution-processed thin-film electronic devices: design, fabrication, and applications. Chem. Rev. 124, 2138–2204 (2024).
Article CAS PubMed Google Scholar
Luo, C. et al. Engineering bonding sites enables uniform and robust self-assembled monolayer for stable perovskite solar cells. Nat. Mater. 24, 1265–1272 (2025).
Article CAS PubMed Google Scholar
Ji, X. et al. Efficient wide-bandgap perovskite solar cells with open-circuit voltage deficit below 0.4 V via hole-selective interface engineering. Sci. China Chem. 67, 2102–2110 (2024).
Article CAS Google Scholar
Zhan, L., Zhang, L., Li, Y., Cai, H. & Wu, Y. Performance and stability enhancement of hole-transporting materials in inverted perovskite solar cells. ACS Appl. Energy Mater. 8, 3985–3996 (2025).
Article CAS Google Scholar
Zhou, J. et al. Molecular contacts with an orthogonal π-skeleton induce amorphization to enhance perovskite solar cell performance. Nat. Chem. 17, 564–570 (2025).
Article CAS PubMed Google Scholar
Zhang, S. et al. Self-assembled π-conjugated hole-selective molecules for UV-resistant high-efficiency perovskite solar cells. Angew. Chem. Int. Ed. 64, e202508782 (2025).
Article CAS Google Scholar
Li, C. et al. Fully aromatic self-assembled hole-selective layer toward efficient inverted wide-bandgap perovskite solar cells with ultraviolet resistance. Angew. Chem. Int. Ed. 63, e202315281 (2024).
Article CAS Google Scholar
Wan, X. et al. Thermal stability of phosphonic acid self-assembled monolayers on alumina substrates. J. Phys. Chem. C 124, 2531–2542 (2020).
Article CAS Google Scholar
Atanasov, V. et al. Synergistically integrated phosphonated poly(pentafluorostyrene) for fuel cells. Nat. Mater. 20, 370–377 (2021).
Article CAS PubMed Google Scholar
Fei, C. et al. Strong-bonding hole-transport layers reduce ultraviolet degradation of perovskite solar cells. Science 384, 1126–1134 (2024).
Article CAS PubMed Google Scholar
Luo, C. et al. Engineering the buried interface in perovskite solar cells via lattice-matched electron transport layer. Nat. Photon. 17, 856–864 (2023).
Article CAS Google Scholar
Zhan, L. et al. Reinforced perovskite-substrate interfaces via multi-sited and dual-sided anchoring. Adv. Mater. 37, 2506048 (2025).
Article CAS Google Scholar
Chen, X. et al. Studies on the effect of solvents on self-assembled monolayers formed from organophosphonic acids on indium tin oxide. Langmuir 28, 9487–9495 (2012).
Article CAS PubMed Google Scholar
Zhang, S. et al. Minimizing buried interfacial defects for efficient inverted perovskite solar cells. Science 380, 404–409 (2023).
Article CAS PubMed Google Scholar
Tang, H. et al. Reinforcing self-assembly of hole transport molecules for stable inverted perovskite solar cells. Science 383, 1236–1240 (2024).
Article CAS PubMed Google Scholar
Isikgor, F. H. et al. Molecular engineering of contact interfaces for high-performance perovskite solar cells. Nat. Rev. Mater. 8, 89–108 (2022).
Article Google Scholar
Jiang, W. et al. Toughened self-assembled monolayers for durable perovskite solar cells. Nature 646, 95–101 (2025).
Article CAS PubMed Google Scholar
Anderson, K. L. & Edwards, M. A. A tutorial for scanning electrochemical cell microscopy (SECCM) measurements: step-by-step instructions, visual resources, and guidance for first experiments. ACS Meas. Sci. Au 5, 160–177 (2025).
Article CAS PubMed PubMed Central Google Scholar
Wu, W. et al. Stable and uniform self-assembled organic diradical molecules for perovskite photovoltaics. Science 389, 195–199 (2025).
Article CAS PubMed Google Scholar
Ulman, A. Formation and structure of self-assembled monolayers. Chem. Rev. 96, 1533–1554 (1996).
Article CAS PubMed Google Scholar
Zhang, S., Baker, J. & Pulay, P. A reliable and efficient first principles-based method for predicting pKa values. 1. Methodology. J. Phys. Chem. A 114, 425–431 (2010).
Article CAS PubMed Google Scholar
Liptak, M. D. & Shields, G. C. Accurate p Ka calculations for carboxylic acids using complete basis set and gaussian-n models combined with CPCM continuum solvation methods. J. Am. Chem. Soc. 123, 7314–7319 (2001).
Article CAS PubMed Google Scholar
Frisch, M. J., Head-Gordon, M. & Pople, J. A. A direct MP2 gradient method. Chem. Phys. Lett. 166, 275–280 (1990).
Article CAS Google Scholar
Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).
Article CAS Google Scholar
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).
Article Google Scholar
Goedecker, S., Teter, M. & Hutter, J. Separable dual-space Gaussian pseudopotentials. Phys. Rev. B 54, 1703–1710 (1996).
Article CAS Google Scholar
Lee, K., Murray, ÉD., Kong, L., Lundqvist, B. I. & Langreth, D. C. Higher-accuracy van der Waals density functional. Phys. Rev. B 82, 081101 (2010).
Article Google Scholar
Download references
The work was supported by Basic Science Center of National Natural Science Foundation (grant no. T2488302), National Natural Science Foundation of China (grant nos. 22425502, 22179037, W2412114 and 92577125), Science and Technology Commission of Shanghai Municipality (grant nos. 24DX1400200 and 24DZ3001000), Shanghai Pilot Program for Basic Research (grant no. 22TQ1400100-1), Program of Introducing Talents of Discipline to Universities (grant no. B16017) and Fundamental Research Funds for the Central Universities. M.S. acknowledges funding support from The Chinese University of Hong Kong (CUHK) through the Vice-Chancellor Early Career Professorship Scheme, the Research Grants Council (RGC) under the NSCF/RGC Joint Research Scheme (N_CUHK414/24) and the Young Collaborative Research Fund (grant no. C4069-25YF) and the Innovation and Technology Commission (ITC) via the ITF Seed Fund (grant no. ITS/239/23). We thank the Research Center of Analysis and Test of East China University of Science and Technology (ECUST) and the staff from the BL17B1 beamline of the National Facility for Protein Science in Shanghai at Shanghai Synchrotron Radiation Facility for assistance during data collection.
These authors contributed equally: Liqing Zhan, Zehui Sun, Shuo Zhang, Jingwen He.
Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Shanghai Key Laboratory of Functional Materials Chemistry, Feringa Nobel Prize Scientist Joint Research Center, Institute of Fine Chemicals, Frontiers Science Center for Materiobiology and Dynamic Chemistry, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, China
Liqing Zhan, Zehui Sun, Shuo Zhang, Jingwen He, Ying Zhou, Leyuan Zhang, Lihui Zhou, Wei Ma, Wei-Hong Zhu & Yongzhen Wu
State Key Laboratory of Chemical Engineering and Low-carbon Technology, School of Chemical Engineering, East China University of Science and Technology, Shanghai, China
Weiqun Gao, Xiaofeng Chen & Weizhong Zheng
Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology, Wuhan, China
Tianyin Miao, Zonghao Liu & Wei Chen
Electronic Engineering Department, The Chinese University of Hong Kong, Hong Kong, China
Martin Stolterfoht
Center of Photosensitive Chemicals Engineering, East China University of Science and Technology, Shanghai, China
Wei-Hong Zhu & Yongzhen Wu
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
L. Zhan and Y.W. supervised the project. L. Zhan conceived of the study and designed the methodology. L. Zhan and Y.W. analysed the data. L. Zhan synthesized the molecules and characterized the thin films. J.H., X.C., W.G. and W.Z. conducted the DFT calculations. Z.S., Y.Z. and W.M. performed the SECCM measurements and corresponding analysis. L. Zhan, T.M., Z.L., S.Z. and L. Zhang fabricated the devices and carried out the stability tests. L. Zhan and Z.S. wrote the original draft. L. Zhou, W.C., W.Z., W.M., M.S., W.-H.Z. and Y.W. reviewed and edited the paper. All authors discussed the results and commented on the paper.
Correspondence to Wei Chen, Weizhong Zheng, Wei Ma, Wei-Hong Zhu or Yongzhen Wu.
The authors declare no competing interests.
Nature Materials thanks Jovana Milic and the other, anonymous, reviewer(s) for their contribution to the peer review of this work. Peer reviewer reports are available.
Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Supplementary Figs. 1–66, Note 1 and Supplementary Tables 1–5.
Statistical source data.
Statistical source data.
Statistical source data.
Statistical source data.
Statistical source data.
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
Reprints and permissions
Zhan, L., Sun, Z., Zhang, S. et al. UV and thermally stable hole-selective contacts with enhanced assembly density for inverted perovskite solar cells. Nat. Mater. (2026). https://doi.org/10.1038/s41563-026-02619-1
Download citation
Received:
Accepted:
Published:
Version of record:
DOI: https://doi.org/10.1038/s41563-026-02619-1
Anyone you share the following link with will be able to read this content:
Sorry, a shareable link is not currently available for this article.
Provided by the Springer Nature SharedIt content-sharing initiative
Advertisement
Nature Materials (Nat. Mater.)
ISSN 1476-4660 (online)
ISSN 1476-1122 (print)
© 2026 Springer Nature Limited
Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.
