Taming Lattice Strain via Buried Interface Engineering for Reverse-Bias Resilient Perovskite Solar Cells
Corresponding Author: Kaikai Liu
Nano-Micro Letters,
Vol. 18 (2026), Article Number: 387
Abstract
Inverted perovskite solar cells have achieved exceptional efficiencies, yet their operational stability, particularly under reverse-bias stress, remains a critical challenge. This instability is fundamentally driven by lattice strain, which lowers ion migration barriers and promotes defect formation. Here, we identify the buried hole-transport-layer/perovskite interface as the principal site of strain accumulation. By incorporating 3-fluorothiophene-2-carboxylic acid (3F-2TC) at this buried HTL/perovskite interface, we directly engineer the initial perovskite crystallization template. This buried interface engineering strategy effectively alleviates intrinsic lattice strain, as unambiguously confirmed by grazing-incidence X-ray diffraction analysis. Crucially, we utilize reverse-bias stress as a diagnostic probe to decouple strain relaxation from mere defect passivation, revealing that a low-strain lattice constitutes the primary defense against bias-induced degradation. Consequently, the champion devices achieve a high power conversion efficiency (PCE) of 26.10% and markedly enhanced stability, retaining 91.58% of their initial PCE after 200 h under − 1.0 V reverse bias. This work thereby establishes the buried interface engineering for strain modulation as a generalizable design principle toward efficient and operationally resilient perovskite photovoltaics.
Highlights:
1 Modulating perovskite lattice strain, beyond merely managing ion migration or passivating defects, is pivotal for device efficiency and stability.
2 Buried interface engineering simultaneously optimizes the hole-transport-layer, templates film growth and passivates defects, thereby mitigating perovskite lattice strain.
3 Inverted perovskite solar cells achieve a power conversion efficiency of 26.10% with exceptional stability under reverse-bias, thermal, and operational stresses.
Keywords
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References
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Nrel, Best Research-Cell Efficiency Chart. Jan. (2026). https://www.nrel.gov/pv/cell-efficiency.
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T. Lu, F. Chen, Multiwfn: a multifunctional wavefunction analyzer. J. Comput. Chem. 33(5), 580–592 (2012). https://doi.org/10.1002/jcc.22885
T. Lu, A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn. J. Chem. Phys. 161(8), 082503 (2024). https://doi.org/10.1063/5.0216272
W. Humphrey, A. Dalke, K. Schulten, VMD: Visual molecular dynamics. J. Mol. Graph. 14(1), 33–38 (1996). https://doi.org/10.1016/0263-7855(96)00018-5
K. Momma, F. Izumi, VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J. Appl. Crystallogr. 44(6), 1272–1276 (2011). https://doi.org/10.1107/S0021889811038970
X. Ren, J. Wang, Y. Lin, Y. Wang, H. Xie et al., Mobile iodides capture for highly photolysis- and reverse-bias-stable perovskite solar cells. Nat. Mater. 23(6), 810–817 (2024). https://doi.org/10.1038/s41563-024-01876-2
Y. Zhao, P. Miao, J. Elia, H. Hu, X. Wang et al., Strain-activated light-induced halide segregation in mixed-halide perovskite solids. Nat. Commun. 11(1), 6328 (2020). https://doi.org/10.1038/s41467-020-20066-7
X. Chen, Q. Wang, H. Wei, J. Yang, Y. Yao et al., Minimizing the buried interfacial energy loss using a fluorine-substituted small molecule for 25.92%-efficiency and stable inverted perovskite solar cells. Energy Environ. Sci. 17(19), 7342–7354 (2024). https://doi.org/10.1039/D4EE02964J
C. Liu, T. Yang, W. Cai, Y. Wang, X. Chen et al., Flexible indoor perovskite solar cells by in situ bottom-up crystallization modulation and interfacial passivation. Adv. Mater. 36(24), 2311562 (2024). https://doi.org/10.1002/adma.202311562
Y. Peng, Y. Chen, J. Zhou, C. Luo, W. Tang et al., Enlarging moment and regulating orientation of buried interfacial dipole for efficient inverted perovskite solar cells. Nat. Commun. 16, 1252 (2025). https://doi.org/10.1038/s41467-024-55653-5
Y. Yang, J. Zhao, H. Yang, X. Yang, Y. Lu et al., Green encapsulants boost stability and sustainability in inverted perovskite solar cells. Nat. Commun. 16, 8993 (2025). https://doi.org/10.1038/s41467-025-64031-8
Y. Bai, Y. Meng, M. Yang, R. Tian, J. Wang et al., Lattice stabilization and strain homogenization in Sn–Pb bottom subcells enable stable all-perovskite tandems solar cells. Nat. Commun. 16(1), 7344 (2025). https://doi.org/10.1038/s41467-025-62661-6
J. Liu, B. Shi, Q. Xu, Y. Li, Y. Li et al., Textured perovskite/silicon tandem solar cells achieving over 30% efficiency promoted by 4-fluorobenzylamine hydroiodide. Nano-Micro Lett. 16(1), 189 (2024). https://doi.org/10.1007/s40820-024-01406-4
Q. Wang, C. Bi, J. Huang, Doped hole transport layer for efficiency enhancement in planar heterojunction organolead trihalide perovskite solar cells. Nano Energy 15, 275–280 (2015). https://doi.org/10.1016/j.nanoen.2015.04.029
T. Hu, Y. Wang, K. Liu, J. Liu, H. Zhang et al., Understanding the decoupled effects of cations and anions doping for high-performance perovskite solar cells. Nano-Micro Lett. 17(1), 145 (2025). https://doi.org/10.1007/s40820-025-01655-x
Y. Dong, J. Zhang, H. Zhang, W. Wang, B. Hu et al., Multifunctional MOF@COF nanops mediated perovskite films management toward sustainable perovskite solar cells. Nano-Micro Lett. 16(1), 171 (2024). https://doi.org/10.1007/s40820-024-01390-9
X. Ji, L. Bi, Q. Fu, B. Li, J. Wang et al., Target therapy for buried interface enables stable perovskite solar cells with 25.05% efficiency. Adv. Mater. 35(39), 2303665 (2023). https://doi.org/10.1002/adma.202303665
C. Duan, Z. Liang, J. Cao, B. Jin, Y. Ming et al., Balancing lattice strain by embedded ionic liquid for the stabilization of formamidinium-based perovskite solar cells. ACS Appl. Mater. Interfaces 14(38), 43298–43307 (2022). https://doi.org/10.1021/acsami.2c11677
Y. Zhu, Z. Xie, X. Chang, G. Wang, Z. Hong et al., Fluorinated pyrimidine bridged buried interface for stable and efficient wide-bandgap perovskite solar cells. Adv. Funct. Mater. 35(11), 2417310 (2025). https://doi.org/10.1002/adfm.202417310
X. Zhang, Y. Wang, K. Zhang, M. Tao, H. Guo et al., Reinforcing coverage of self-assembled monomolecular layers for inverted perovskite solar cells with efficiency of 25.70%. Angew. Chem. 137(13), e202423827 (2025). https://doi.org/10.1002/ange.202423827
C. Luo, Q. Zhou, K. Wang, X. Wang, J. He et al., Engineering bonding sites enables uniform and robust self-assembled monolayer for stable perovskite solar cells. Nat. Mater. 24(8), 1265–1272 (2025). https://doi.org/10.1038/s41563-025-02275-x
K. Fang, J. Wang, H. Liu, S. Chen, N. Jiang et al., Enhancing the performance and stability of perovskite solar cells through the introduction of the multifunctional additive 5-amino-2-fluorobenzoic acid. Solar RRL 7(24), 2300766 (2023). https://doi.org/10.1002/solr.202300766
S.M. Park, M. Wei, N. Lempesis, W. Yu, T. Hossain et al., Low-loss contacts on textured substrates for inverted perovskite solar cells. Nature 624(7991), 289–294 (2023). https://doi.org/10.1038/s41586-023-06745-7
Q. Feng, X. Liu, H. Wang, R. Zhou, W. Zhao et al., Inhibition of ion migration by interface doping 2-thiophenecarboxamide to obtain high-performance perovskite solar cells with low hysteresis. Opt. Mater. 154, 115540 (2024). https://doi.org/10.1016/j.optmat.2024.115540
L. Jia, S. Xia, J. Li, Y. Qin, B. Pei et al., Efficient perovskite/silicon tandem with asymmetric self-assembly molecule. Nature 644(8078), 912–919 (2025). https://doi.org/10.1038/s41586-025-09333-z
G. Zhang, Y. Lv, Z. Su, Y. Ren, T. Geng et al., Three birds with one stone: triple defect passivation of tris(2, 2, 2-trifluoroethyl) phosphate enables 25.69% efficient inverted perovskite solar cells. Angew. Chem. Int. Ed. 64(21), e202502244 (2025). https://doi.org/10.1002/anie.202502244
Q. Cao, T. Wang, X. Pu, X. He, M. Xiao et al., Co-self-assembled monolayers modified NiOx for stable inverted perovskite solar cells. Adv. Mater. 36(16), 2311970 (2024). https://doi.org/10.1002/adma.202311970
Y. Huo, T. He, S. Yang, Y. Jiang, C. Sun, Halide perovskite heterostructures for high-performance light-emitting diodes. Nano-Micro Lett. 18(1), 185 (2026). https://doi.org/10.1007/s40820-025-02038-y
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