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 volume 648, pages 91–96 (2025)
9595
42
Metrics details
Metal halide perovskites with remarkable optoelectronic properties have become a competitive candidate for supporting the efficiency progression of photovoltaics. As the latest reported power conversion efficiency of research cells is comparable to that of commercialized silicon cells1,2,3, the industrialization of perovskite solar cells is on the horizon4,5. However, most high-efficiency inverted perovskite solar cells based on self-assembled molecules (SAMs) face challenges owing to the aggregation and hydrophobicity of the SAMs. Here we report a ‘SAM-in-matrix’ strategy to distribute partial SAMs into a stable matrix of tris(pentafluorophenyl)borane, which breaks the original molecular-stacking-induced aggregation. Two-dimensional lattice Monte Carlo simulations and experimental results reveal that this strategy forms efficient charge transport channels. SAM-in-matrix hole-transport-layer-based devices show universally higher efficiencies for various SAMs, with compact surface coverage, good conductivity and substantially fewer buried nanovoids. Moreover, this strategy shows prominent application potential for scalable production. A SAM-in-matrix hole transport layer on fluorine-doped tin oxide/NiOx substrate facilitates the formation of large-area perovskite films with good crystalline quality and enhanced conductivity of NiOx. A 1 m × 2 m large-area perovskite solar module is thus achieved with a certified efficiency of 20.05%.
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 51 print issues and online access
$199.00 per year
only $3.90 per issue
Buy this article
USD 39.95
Prices may be subject to local taxes which are calculated during checkout
The data that support the findings of this study are available in the paper and its Supplementary Information. Source data are available from the corresponding authors upon request.
Chen, H. et al. Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands. Science 384, 189–193 (2024).
Article ADS CAS PubMed Google Scholar
Liu, S. et al. Buried interface molecular hybrid for inverted perovskite solar cells. Nature 632, 536–542 (2024).
Article ADS Google Scholar
Zhao, K. et al. peri-Fused polyaromatic molecular contacts for perovskite solar cells. Nature 632, 301–306 (2024).
Article ADS CAS Google Scholar
Zhu, P. et al. Toward the commercialization of perovskite solar modules. Adv. Mater. 36, 2307357 (2024).
Article CAS Google Scholar
Aydin, E. et al. Pathways toward commercial perovskite/silicon tandem photovoltaics. Science 383, eadh3849 (2024).
Article CAS PubMed Google Scholar
Xiao, Y., Yang, X., Zhu, R. & Snaith, H. J. Unlocking interfaces in photovoltaics. Science 384, 846–848 (2024).
Article ADS CAS Google Scholar
Zhang, S. et al. Minimizing buried interfacial defects for efficient inverted perovskite solar cells. Science 380, 404–409 (2023).
Article ADS CAS PubMed Google Scholar
Wang, H. et al. Impurity-healing interface engineering for efficient perovskite submodules. Nature 634, 1091–1095 (2024).
Article ADS CAS PubMed Google Scholar
Jiang, Q. & Zhu, K. Rapid advances enabling high-performance inverted perovskite solar cells. Nat. Rev. Mater. 9, 399–419 (2024).
Article ADS 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 ADS CAS PubMed Google Scholar
Li, L. et al. Flexible all-perovskite tandem solar cells approaching 25% efficiency with molecule-bridged hole-selective contact. Nat. Energy 7, 708–717 (2022).
Article ADS CAS Google Scholar
Li, N. et al. Barrier reinforcement for enhanced perovskite solar cell stability under reverse bias. Nat. Energy 9, 1264–1274 (2024).
Article ADS CAS Google Scholar
Li, C. et al. Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells. Science 379, 690–694 (2023).
Article ADS CAS PubMed Google Scholar
Jiang, Q. et al. Surface reaction for efficient and stable inverted perovskite solar cells. Nature 611, 278–283 (2022).
Article ADS 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
Park, S. M. et al. Low-loss contacts on textured substrates for inverted perovskite solar cells. Nature 624, 289–294 (2023).
Article ADS CAS PubMed Google Scholar
Ren, Z. et al. Poly(carbazole phosphonic acid) as a versatile hole-transporting material for p–i–n perovskite solar cells and modules. Joule 7, 2894–2904 (2023).
Article CAS Google Scholar
Liu, T. et al. Efficient perovskite solar modules enabled by a UV-stable and high-conductivity hole transport material. Sci. Adv. 11, eadu3493 (2025).
Article ADS CAS PubMed Central PubMed Google Scholar
Jiang, Q. et al. Towards linking lab and field lifetimes of perovskite solar cells. Nature 623, 313–318 (2023).
Article ADS CAS PubMed Google Scholar
Peng, W. et al. A versatile energy-level-tunable hole-transport layer for multi-composition inverted perovskite solar cells. Energy Environ. Sci. 18, 874–883 (2025).
Article CAS Google Scholar
Piers, W. E. & Chivers, T. Pentafluorophenylboranes: from obscurity to applications. Chem. Soc. Rev. 26, 345–354 (1997).
Article CAS Google Scholar
Welch, G. C., Juan, R. R. S., Masuda, J. D. & Stephan, D. W. Reversible, metal-free hydrogen activation. Science 314, 1124–1126 (2006).
Article ADS CAS PubMed Google Scholar
Rombach, F. M., Haque, S. A. & Macdonald, T. J. Lessons learned from spiro-OMeTAD and PTAA in perovskite solar cells. Energy Environ. Sci. 14, 5161–5190 (2021).
Article CAS Google Scholar
Zhao, Y. et al. A bilayer conducting polymer structure for planar perovskite solar cells with over 1,400 h operational stability at elevated temperatures. Nat. Energy 7, 144–152 (2022).
Article ADS CAS Google Scholar
Gu, H. et al. Design optimization of bifacial perovskite minimodules for improved efficiency and stability. Nat. Energy 8, 675–684 (2023).
Article ADS CAS Google Scholar
Wang, X. et al. Regulating phase homogeneity by self-assembled molecules for enhanced efficiency and stability of inverted perovskite solar cells. Nat. Photon. 18, 1269–1275 (2024).
Article ADS 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
Wang, H. et al. Interfacial residual stress relaxation in perovskite solar cells with improved stability. Adv. Mater. 31, 1904408 (2019).
Article CAS Google Scholar
Zheng, Z. et al. Pre-buried additive for cross-layer modification in flexible perovskite solar cells with efficiency exceeding 22%. Adv. Mater. 34, 2109879 (2022).
Article CAS Google Scholar
Miao, Y. et al. Green solvent enabled scalable processing of perovskite solar cells with high efficiency. Nat. Sustain. 6, 1465–1473 (2023).
Article Google Scholar
Jiang, Q. et al. Surface passivation of perovskite film for efficient solar cells. Nat. Photon. 13, 460–466 (2019).
Article ADS CAS Google Scholar
Li, G. et al. Overcoming the limitations of sputtered nickel oxide for high-efficiency and large-area perovskite solar cells. Adv. Sci. 4, 1700463 (2017).
Article Google Scholar
Di Girolamo, D. et al. Progress, highlights and perspectives on NiO in perovskite photovoltaics. Chem. Sci. 11, 7746–7759 (2020).
Article PubMed Google Scholar
Boyd, C. C. et al. Overcoming redox reactions at perovskite-nickel oxide interfaces to boost voltages in perovskite solar cells. Joule 4, 1759–1775 (2020).
Article CAS Google Scholar
Li, J. et al. Enhancing the efficiency and longevity of inverted perovskite solar cells with antimony-doped tin oxides. Nat. Energy 9, 308–315 (2024).
Article ADS CAS Google Scholar
Wu, T. et al. Elimination of light-induced degradation at the nickel oxide-perovskite heterojunction by aprotic sulfonium layers towards long-term operationally stable inverted perovskite solar cells. Energy Environ. Sci. 15, 4612–4624 (2022).
Article CAS Google Scholar
Yang, Y. et al. Inverted perovskite solar cells with over 2,000 h operational stability at 85 °C using fixed charge passivation. Nat. Energy 9, 37–46 (2024).
Article ADS CAS Google Scholar
Yu, S. et al. Homogenized NiOx nanoparticles for improved hole transport in inverted perovskite solar cells. Science 382, 1399–1404 (2023).
Article ADS CAS PubMed Google Scholar
Zhang, J. et al. Regulation of crystallization by Introducing a multistage growth template affords efficient and stable inverted perovskite solar cells. Energy Environ. Sci. 18, 3235–3247 (2025).
Article CAS Google Scholar
Xu, P. et al. Retarding the growth kinetics of chemical bath deposited nickel oxide films for efficient inverted perovskite solar cells and minimodules. Adv. Mater. 37, 2505087 (2025).
Article CAS Google Scholar
Kim, Y. et al. Ionic highways from covalent assembly in highly conducting and stable anion exchange membrane fuel cells. J. Am. Chem. Soc. 141, 18152–18159 (2019).
Article ADS CAS PubMed Google Scholar
Becke, A. D. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction. J. Chem. Phys. 96, 2155–2160 (1992).
Article ADS CAS Google Scholar
Wu, Q. & Yang, W. Empirical correction to density functional theory for van der Waals interactions. J. Chem. Phys. 116, 515–524 (2002).
Article ADS CAS Google Scholar
Giannozzi, P. et al. Advanced capabilities for materials modelling with Quantum ESPRESSO. J. Phys. Condens. Matter 29, 465901 (2017).
Article CAS PubMed 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 ADS CAS Google Scholar
Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).
Article CAS Google Scholar
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).
Article ADS Google Scholar
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
Article ADS CAS PubMed Google Scholar
Monkhorst, H. J. & Pack, J. D. Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188–5192 (1976).
Article ADS MathSciNet Google Scholar
Download references
This work was supported by the National Natural Science Foundation of China (NSFC, grant nos. 22025505, 22220102002, 22522903, 52203334, 22479098 and 52403330), the Natural Science Foundation of Shanghai (grant nos. 23ZR1432300 and 23ZR1428000), the China Postdoctoral Science Foundation (grant nos. 2024M761964 and GZB20250060) and the Oceanic Interdisciplinary Program of Shanghai Jiao Tong University (grant no. SL2022ZD105). We thank the Shanghai Synchrotron Radiation Facility for the assistance with the GIWAXS measurements. We thank the Instrumental Analysis Centers at Shanghai Jiao Tong University and School of Environmental Science and Engineering for assistance with the material characterizations. We thank B. Dai for the assistance with the ssNMR measurements.
These authors contributed equally: Yugang Liang, Guodong Chen, Yao Wang, Yu Zou
School of Environmental Science and Engineering, Frontiers Science Center for Transformative Molecules, State Key Laboratory of Green Papermaking and Resource Recycling, Shanghai Jiao Tong University, Shanghai, China
Yugang Liang, Guodong Chen, Menglei Feng, Lei Lu, Ni Zhang, Yanfeng Miao, Yuetian Chen & Yixin Zhao
Future Photovoltaic Research Center, Global Institute of Future Technology, Shanghai Jiao Tong University (SJTU-GIFT), Shanghai, China
Guodong Chen, Yao Wang, Yu Zou, Yanming Wang, Bowei Li, Yuljae Cho, Yide Chang, Ke Meng, Chen Zhu, Chuying Ouyang, Yongsheng Guo & Yixin Zhao
Fujian Science and Technology Innovation Laboratory for Energy Devices of China (CATL 21C Lab), Fujian, China
Guodong Chen, Ke Meng, Chen Zhu, Chuying Ouyang & Yongsheng Guo
Shanghai Non-carbon Energy Conversion and Utilization Institute, Shanghai, China
Yao Wang, Bowei Li, Yanfeng Miao, Yuetian Chen & Yixin Zhao
Global College, Shanghai Jiao Tong University, Shanghai, China
Yuljae Cho & Tianle Liu
School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, China
Taiyang Zhang
School of Chemistry and Chemical Engineering, Southeast University, Nanjing, China
Yongbing Lou & Ranran Xu
Department of Physics, Laboratory of Computational Materials Physics, Jiangxi Normal University, Nanchang, China
Chuying Ouyang
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
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
Y. Zhao, Y. Chen, Y.M. and Y.G. designed and directed the research. Y. Liang, Yao Wang and Y. Zou carried out the fabrication and characterization of the perovskite films and PSCs. G.C., K.M., C.Z. and C.O. assisted with the fabrication of large modules. M.F., T.Z., R.X. and Y. Lou assisted with the modification of the PSCs. Yanming Wang, Y. Cho, Y. Chang and T.L. performed the theoretical calculations. Y. Liang carried out the AFM and photoluminescence mapping measurements and data analysis. B.L. participated in the SEM, HRTEM and time-of-flight secondary-ion mass spectrometry characterizations and data analysis. L.L. and N.Z. performed the time-resolved photoluminescence and photoluminescence quantum yield measurements. Y. Zhao, Y. Chen, Y.M., Y.G., Y. Liang, Yao Wang and Y. Zou wrote the paper with input from all authors.
Correspondence to Yanfeng Miao, Yongsheng Guo, Yuetian Chen or Yixin Zhao.
The authors declare no competing interests.
Nature thanks the anonymous reviewers 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.
This Supplementary Information file contains Supplementary Figs. 1–49, Table 1, Notes 1 and 2, and References.
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
Liang, Y., Chen, G., Wang, Y. et al. A matrix-confined molecular layer for perovskite photovoltaic modules. Nature 648, 91–96 (2025). https://doi.org/10.1038/s41586-025-09785-3
Download citation
Received:
Accepted:
Published:
Version of record:
Issue date:
DOI: https://doi.org/10.1038/s41586-025-09785-3
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 (Nature)
ISSN 1476-4687 (online)
ISSN 0028-0836 (print)
© 2025 Springer Nature Limited
Sign up for the Nature Briefing newsletter — what matters in science, free to your inbox daily.
