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)
279
1
Metrics details
The development of molecule-based selective contacts has boosted the power conversion efficiencies of inverted perovskite solar cells. However, these molecular films, often assembled as monolayer or multiple layers on the substrate, are prone to molecular desorption and structural deformation, limiting the long-term stability of devices. This instability, in essence, originates from the weak contacting structure between the transparent conductive oxide and molecular layer, with a limited interface offering insufficient adhering forces to immobilize the molecules. A general architectural strategy that circumvents this fundamental limitation without compromising electronic functionality is highly demanded, but remains underexplored. We now report a universal architecture of a bulk nano-heterointerface that reconstructed the molecule-based selective layer. The substantially increased chemical interface and strengthened binding force between the molecules and rationally designed nanoscale scaffolds greatly improved the device operational stability, achieving high efficiency. The strategy proved versatile, successfully applied to various molecular systems to enhance device performances, and remained effective in upscaled devices produced via scalable blade coating.
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
All data needed to evaluate the conclusions in the paper are present in the article or its Supplementary Information. Source data are provided with this paper.
Jiang, Q. et al. Rapid advances enabling high-performance inverted perovskite solar cells. Nat. Rev. Mater. 9, 399–419 (2024).
Article 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 CAS PubMed Google Scholar
Jiang, Q. et al. Compositional texture engineering for highly stable wide-bandgap perovskite solar cells. Science 378, 1295–1300 (2022).
Article CAS PubMed Google Scholar
Aydin, E. et al. Enhanced optoelectronic coupling for perovskite/silicon tandem solar cells. Nature 623, 732–738 (2023).
Article CAS PubMed Google Scholar
Liu, S. et al. Triple-junction solar cells with cyanate in ultrawide-bandgap perovskites. Nature 628, 306–312 (2024).
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
Liu, L. et al. Self-assembled amphiphilic monolayer for efficient and stable wide-bandgap perovskite solar cells. Adv. Energy Mater. 13, 2202802 (2022).
Article Google Scholar
Ali, F. et al. Applications of self-assembled monolayers for perovskite solar cells interface engineering to address efficiency and stability. Adv. Energy Mater. 10, 2002989 (2020).
Article CAS Google Scholar
Aktas, E. et al. Understanding the perovskite/self-assembled selective contact interface for ultra-stable and highly efficient p–i–n perovskite solar cells. Energy Environ. Sci. 14, 3976–3985 (2021).
Article CAS Google Scholar
Wang, S. et al. Advantages and challenges of self-assembled monolayer as a hole-selective contact for perovskite solar cells. Mater. Futures 2, 012105 (2023).
Article CAS Google Scholar
Chen, H. et al. Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands. Science 384, 189–193 (2024).
Article CAS PubMed Google Scholar
Zhu, J. et al. A donor–acceptor-type hole-selective contact reducing non-radiative recombination losses in both subcells towards efficient all-perovskite tandems. Nat. Energy 8, 714–724 (2023).
Article CAS Google Scholar
He, R. et al. All-perovskite tandem 1 cm2 cells with improved interface quality. Nature 618, 80–86 (2023).
Article CAS PubMed Google Scholar
Zhang, S. et al. Conjugated self-assembled monolayer as stable hole-selective contact for inverted perovskite solar cells. ACS Mater. Lett. 4, 1976–1983 (2022).
Article CAS Google Scholar
Yi, Z. et al. Achieving a high open-circuit voltage of 1.339 V in 1.77 eV wide-bandgap perovskite solar cells via self-assembled monolayers. Energy Environ. Sci. 17, 202–209 (2024).
Article CAS Google Scholar
Li, L. et al. Self-assembled naphthalimide derivatives as an efficient and low-cost electron extraction layer for n-i-p perovskite solar cells. Chem. Commun. 55, 13239–13242 (2019).
Article CAS 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
Azmi, R. et al. Double-side 2D/3D heterojunctions for inverted perovskite solar cells. Nature 628, 93–98 (2024).
Article CAS PubMed Google Scholar
Jiang, Q. et al. Towards linking lab and field lifetimes of perovskite solar cells. Nature 623, 313–318 (2023).
Article CAS PubMed Google Scholar
Li, E. et al. Bonding strength regulates anchoring-based self-assembly monolayers for efficient and stable perovskite solar cells. Adv. Funct. Mater. 31, 2103847 (2021).
Article CAS Google Scholar
Hara, M. et al. Adsorption and desorption processes of self-assembled monolayers studied by surface-sensitive microscopy and spectroscopy. Supramol. Sci. 3, 103–109 (1996).
Article CAS Google Scholar
Guo, H. et al. Neglected acidity pitfall: boric acid-anchoring hole-selective contact for perovskite solar cells. Natl Sci. Rev. 10, nwad057 (2023).
Article CAS PubMed PubMed Central 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
Gao, Y. et al. Highly stable lead-free perovskite field-effect transistors incorporating linear π-conjugated organic ligands. J. Am. Chem. Soc. 141, 15577–15585 (2019).
Article CAS PubMed Google Scholar
Nakano, K. et al. Immobilization of ethynyl-π-extended electron acceptors with amino-terminated SAMs by catalyst-free click reaction. Chemistry 26, 15931–15937 (2020).
Article CAS PubMed Google Scholar
Guo, J. et al. Fine-tuning miscibility and π-π stacking by alkylthio side chains of donor molecules enables high-performance all-small-molecule organic solar cells. ACS Appl. Mater. Interfaces 13, 36033–36043 (2021).
Article CAS PubMed Google Scholar
Wang, H. F. et al. Quantitative sum-frequency generation vibrational spectroscopy of molecular surfaces and interfaces: lineshape, polarization, and orientation. Annu. Rev. Phys. Chem. 66, 189–216 (2015).
Article CAS PubMed Google Scholar
Aswal, D. K. et al. Self assembled monolayers on silicon for molecular electronics. Anal. Chim. Acta 568, 84–108 (2006).
Article CAS PubMed Google Scholar
Pomerantz, M. et al. Coverage of Si substrates by self-assembling monolayers and multilayers as measured by IR, Wettability and X-ray diffraction. Thin Solid Films 132, 153–162 (1985).
Article CAS Google Scholar
Wasserman, S. R. et al. Structure and reactivity of alkylsiloxane monolayers formed by reaction of alkyltrichlorosilanes on silicon substrates. Langmuir 5, 1074–1087 (1989).
Article CAS Google Scholar
Linford, M. R. et al. Alkyl monolayers covalently bonded to silicon surfaces. J. Am. Chem. Soc. 115, 12631–12632 (1993).
Article CAS Google Scholar
Hanson, E. L. et al. Bonding self-assembled, compact organophosphonate monolayers to the native oxide surface of silicon. J. Am. Chem. Soc. 125, 16074–16080 (2003).
Article CAS PubMed Google Scholar
Tian, R. et al. Infrared characterization of interfacial Si-O bond formation on silanized flat SiO2/Si surfaces. Langmuir 26, 4563–4566 (2010).
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
Peng et al. Reducing nonradiative recombination in perovskite solar cells with a porous insulator contact. Science 379, 683–690 (2023).
Article CAS PubMed Google Scholar
Xiong et al. Controllable p- and n-type behaviours in emissive perovskite semiconductors. Nature 633, 344–350 (2024).
Article CAS PubMed Google Scholar
Khenkin, M. V. et al. Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures. Nat. Energy 5, 35–49 (2020).
Article Google Scholar
Download references
We thank L. Liu, Y. Nie and Z. Yang from the Instrumentation and Service Center for Physical Sciences (ISCPS) and X. Lu, Y. Chen, Z. Chen and Y. Cheng from the Instrumentation and Service Center for Molecular Sciences at Westlake University for assistance in characterizations. J. Xue acknowledges support from the Natural Science Foundation of Zhejiang Province of China (grant numbers LR24F040001 and DG25E020001), the National Natural Science Foundation of China (grant number 62274146), the Scientific Research Innovation Capability Support Project for Young Faculty (SRICSPYF-ZY2025093), the Central Guidance Funds for Local Science and Technology Development Projects (grant number 2025ZY01012) and the Fundamental Research Funds for the Central Universities. Y.L. acknowledges support from the National Natural Science Foundation of China (grant number 625B2166). Y.T. acknowledges a grant from the National Natural Science Foundation of China (grant number 624B2117). R.W. acknowledges grants from the National Natural Science Foundation of China (grant number 62474143) and Natural Science Foundation of Zhejiang Province of China (grant numbers LD24E020001 and QKWL25E1301), support from the Key R&D Program of Zhejiang (grant number 2024SSYS0061), Zhejiang Key Laboratory of Low-Carbon Intelligent Synthetic Biology (2024ZY01025), Muyuan Laboratory (programme ID 14136022401) and support from the Scientific Research Innovation Capability Support Project for Young Faculty (grant number SRICSPYF-BS2025014). H.-f.W. acknowledges the National Key Instrumentation Development grant by the National Natural Science Foundation of China (grant number 21727802).
These authors contributed equally: Yixin Luo, Jiahui Shen.
State Key Laboratory of Silicon and Advanced Semiconductor Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, China
Yixin Luo, Jiahui Shen, Ke Zhao, Yuan Tian, Lu Jin, Xuechun Sun, Qinggui Li, Runda Li, Hengyu Zhang, Haimeng Xin, Jiazhe Xu, Donger Jin, Zhenyi Ni, Deren Yang & Jingjing Xue
Department of Materials Science and Engineering, School of Engineering, Westlake University, Hangzhou, China
Jiahui Shen, Ke Zhao, Shenglong Chu, Yuan Tian, Lu Jin, Xuechun Sun, Libing Yao, Qingqing Liu, Jiazhe Xu, Jingjing Zhou & Rui Wang
School of Chemistry and Materials, Yangzhou University, Yangzhou, China
Jiahui Shen & Ruzhang Liu
Shangyu Institute of Semiconductor Materials, Shaoxing, China
Ke Zhao & Jingjing Xue
Department of Physics, Marmara University, Istanbul, Turkey
Caner Değer & Ilhan Yavuz
Department of Chemistry, Zhejiang University, Hangzhou, China
Bo-jun Zhao, Li Zhang & Hong-fei Wang
Department of Chemistry, Westlake University, Hangzhou, China
Bo-jun Zhao & Li Zhang
Zhejiang Key Laboratory of Precise Synthesis of Functional Molecules, Instrumentation and Service Center for Molecular Sciences and Research Center for Industries of the Future, Westlake University, Hangzhou, China
Xiaohe Miao
Department of Nano Engineering, Department of Nano Science and Technology, SKKU Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University (SKKU), Suwon, Republic of Korea
Seung-Gu Choi
Department of Energy Systems Engineering, College of Engineering, Seoul National University, Seoul, Republic of Korea
Jin-Wook Lee
School of Transdisciplinary Innovations, Seoul National University, Seoul, Republic of Korea
Jin-Wook Lee
Department of Chemistry, Korea University, Seoul, Republic of Korea
Hyo Jae Yoon
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
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
PubMed Google Scholar
J. Xue conceived the idea and supervised the project. Y.L. and J.S. performed the experiments and data analysis under the supervision of J. Xue. K.Z., S.C. and L.J. fabricated the solar cell devices. B.-j.Z. and L.Z. performed the SFG-VS measurements under the supervision of H.-f.W. C.D. and I.Y. conducted the theoretical calculations. Q. Liu synthesized the molecules. Y.T., X.S., L.Y., X.M., Q. Li, R. Li, H.X., J. Xu, J.Z. and D.J. assisted with the characterizations and device fabrication. S.-G.C. performed the cross-sectional KPFM under the supervision of J.-W.L. H.Z. performed the cross-sectional TRPL mapping under the supervision of Z.N. R. Liu, R.W., H.J.Y. and D.Y. provided helpful discussions. J. Xue wrote the paper. All authors discussed the results and commented on the paper.
Correspondence to Jingjing Xue.
The authors declare no competing interests.
Nature Materials 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.
Supplementary Notes 1–10, Figs. 1–130, and Tables 1 and 2.
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
Luo, Y., Shen, J., Zhao, K. et al. Bulk nano-heterointerface secures molecular contacts in perovskite solar cells. Nat. Mater. (2026). https://doi.org/10.1038/s41563-026-02546-1
Download citation
Received:
Accepted:
Published:
Version of record:
DOI: https://doi.org/10.1038/s41563-026-02546-1
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.
