REFERENCES
1. Kojima, A.; Teshima, K.; Shirai, Y.; Miyasaka, T. Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. J. Am. Chem. Soc. 2009, 131, 6050-1.
2. Zheng, X.; Li, Z.; Zhang, Y.; et al. Co-deposition of hole-selective contact and absorber for improving the processability of perovskite solar cells. Nat. Energy. 2023, 8, 462-72.
3. You, S.; Zeng, H.; Liu, Y.; et al. Radical polymeric p-doping and grain modulation for stable, efficient perovskite solar modules. Science 2023, 379, 288-94.
4. Wu, W.; Gao, H.; Jia, L.; et al. Stable and uniform self-assembled organic diradical molecules for perovskite photovoltaics. Science 2025, 389, 195-9.
5. Ma, B.; Yao, D.; Chen, B.; et al. Thiol groups reutilization on chemical bath deposited tin oxide surface achieving interface anchoring and defects passivation for enhancing the performance and stability of perovskite solar cells. Small 2025, 21, e2408516.
6. Shi, P.; Ding, Y.; Ding, B.; et al. Oriented nucleation in formamidinium perovskite for photovoltaics. Nature 2023, 620, 323-7.
7. Li, Y.; Zhang, Z.; Cai, Y.; et al. Synergistic isothiourea-guanidine additive for achieving stable perovskite solar cells with a high certified quasi-steady-state output. Adv. Mater. 2026, 38, e14903.
8. Yang, Y.; Liu, C.; Ding, Y.; et al. A thermotropic liquid crystal enables efficient and stable perovskite solar modules. Nat. Energy. 2024, 9, 316-23.
9. Green, M.; Dunlop, E.; Yoshita, M.; et al. Solar cell efficiency tables (Version 66). Prog. Photovolt. Res. Appl. 2025, 33, 795-810.
10. Yang, B.; Suo, J.; Di Giacomo, F.; et al. Interfacial passivation engineering of perovskite solar cells with fill factor over 82% and outstanding operational stability on n-i-p architecture. ACS. Energy. Lett. 2021, 6, 3916-23.
11. Li, Y.; Xie, H.; Lim, E. L.; Hagfeldt, A.; Bi, D. Recent progress of critical interface engineering for highly efficient and stable perovskite solar cells. Adv. Energy. Mater. 2022, 12, 2102730.
12. Oliver, R. D. J.; Caprioglio, P.; Peña-camargo, F.; et al. Understanding and suppressing non-radiative losses in methylammonium-free wide-bandgap perovskite solar cells. Energy. Environ. Sci. 2022, 15, 714-26.
13. You, S.; Eickemeyer, F. T.; Gao, J.; et al. Bifunctional hole-shuttle molecule for improved interfacial energy level alignment and defect passivation in perovskite solar cells. Nat. Energy. 2023, 8, 515-25.
14. Duan, H.; Jin, J.; Liu, X.; et al. Electron-donor/-acceptor ratio-guided molecular engineering for buried interface optimization in n-i-p perovskite solar cells. Energy. Mater. 2026, 6.
15. Wang, W. T.; Holzhey, P.; Zhou, N.; et al. Water- and heat-activated dynamic passivation for perovskite photovoltaics. Nature 2024, 632, 294-300.
16. Ding, B.; Ding, Y.; Peng, J.; et al. Dopant-additive synergism enhances perovskite solar modules. Nature 2024, 628, 299-305.
17. Chen, X.; Wang, Q.; Wei, H.; 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. 2024, 17, 7342-54.
18. Shi, X.; Liu, T.; Dou, Y.; et al. Air-processed perovskite solar cells with >25% efficiency and high stability enabled by crystallization modulation and holistic passivation. Adv. Mater. 2024, 36, e2402785.
19. Zhang, Z.; Chen, W.; Jiang, X.; et al. Suppression of phase segregation in wide-bandgap perovskites with thiocyanate ions for perovskite/organic tandems with 25.06% efficiency. Nat. Energy. 2024, 9, 592-601.
20. Li, H.; Feng, Y.; Zhu, M.; et al. Nanosurface-reconstructed perovskite for highly efficient and stable active-matrix light-emitting diode display. Nat. Nanotechnol. 2024, 19, 638-45.
21. Shao, W.; Wang, H.; Fu, S.; et al. Tailoring perovskite surface potential and chelation advances efficient solar cells. Adv. Mater. 2024, 36, e2310080.
22. Tao, M.; Wang, Y.; Zhang, K.; et al. Molecule-triggered strain regulation and interfacial passivation for efficient inverted perovskite solar cells. Joule 2024, 8, 3142-52.
23. Pan, Y.; Wang, J.; Sun, Z.; et al. Surface chemical polishing and passivation minimize non-radiative recombination for all-perovskite tandem solar cells. Nat. Commun. 2024, 15, 7335.
24. Zhu, X.; Li, M.; Mo, K.; et al. A Surface-reconstructed bilayer heterojunction enables efficient and stable inverted perovskite solar cells. Adv. Mater. 2024, 36, e2409340.
25. Nie, J.; Zhang, Y.; Wang, J.; Li, L.; Zhang, Y. Recent progress in regulating surface potential for high-efficiency perovskite solar cells. ACS. Energy. Lett. 2024, 9, 1674-81.
26. Zhou, J.; Bi, E.; Tian, W.; et al. Homogenizing hole-selective contacts for centimeter-square flexible perovskite/Cu(In,Ga)Se2 tandems. Sci. Adv. 2025, 11, eadz2781.[DOI:10.1126/sciadv.adz2781.
27. Ou, K.; Liu, J.; Xiang, J.; et al. Importance of passivation efficiency of the passivator for efficient printable mesoscopic perovskite solar cells. J. Energy. Chem. 2025, 106, 438-45.
28. Xu, Y.; Yu, J.; Liu, S.; et al. Surface potential homogenization improves perovskite solar cell performance. Adv. Energy. Mater. 2025, 15, 2404755.
29. Huang, H.; Yang, Y.; Liu, B.; et al. Regulating bifacial surface potential of perovskite film enables efficient perovskite solar cells universal for different charge transport layers. Small 2025, 21, e2412129.
30. Chang, Q.; Wang, F.; Xu, W.; et al. Ferrocene-induced perpetual recovery on all elemental defects in perovskite solar cells. Angew. Chem. Int. Ed. 2021, 60, 25567-74.
31. Hu, B.; Zhang, J.; Yang, Y.; et al. Tailored multi-functional molecular chain-based ferrocene derivative for efficient and stable perovskite solar cells. Nano. Energy. 2023, 118, 109022.
32. Vanin, F.; Tremlett, W. D. J.; Gao, D.; et al. Modulating perovskite surface energetics through tuneable ferrocene interlayers for high-performance perovskite solar cells. Angew. Chem. Int. Ed. 2025, 64, e202424041.
33. Webb, T.; Liu, X.; Westbrook, R. J.; et al. A multifaceted ferrocene interlayer for highly stable and efficient lithium doped spiro‐OMeTAD‐based perovskite solar cells. Adv. Energy. Mater. 2022, 12, 2200666.
34. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 1996, 77, 3865-8.
35. Kresse, G.; Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B. Condens. Matter. 1996, 54, 11169-86.
36. Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B. 1999, 59, 1758-75.
37. Oner, S. M.; Sezen, E.; Yordanli, M. S.; Karakoc, E.; Deger, C.; Yavuz, I. Surface defect formation and passivation in formamidinium lead triiodide (FAPbI3) perovskite solar cell absorbers. J. Phys. Chem. Lett. 2022, 13, 324-30.
38. Yang, S.; Zhuang, Y.; Dou, Y.; et al. Investigation of the effect of molecules containing sulfonamide moiety adsorbed on the FAPbI3 perovskite surface: a first-principles study. Molecules 2025, 30, 2463.
39. Xia, J.; Sohail, M.; Nazeeruddin, M. K. Efficient and stable perovskite solar cells by tailoring of interfaces. Adv. Mater. 2023, 35, e2211324.
40. Tao, J.; Zhao, C.; Wang, Z.; et al. Suppressing non-radiative recombination for efficient and stable perovskite solar cells. Energy. Environ. Sci. 2025, 18, 509-44.
41. Jiang, Q.; Zhu, K. Rapid advances enabling high-performance inverted perovskite solar cells. Nat. Rev. Mater. 2024, 9, 399-419.
42. Lu, Y.; Zhong, J.; Yu, Y.; et al. Constructing an n/n+ homojunction in a monolithic perovskite film for boosting charge collection in inverted perovskite photovoltaics. Energy. Environ. Sci. 2021, 14, 4048-58.
43. Li, Z.; Li, B.; Wu, X.; et al. Organometallic-functionalized interfaces for highly efficient inverted perovskite solar cells. Science 2022, 376, 416-20.
44. Zhang, Y.; Yu, B.; Sun, Y.; Zhang, J.; Su, Z.; Yu, H. An MBene modulating the buried SnO2/perovskite interface in perovskite solar cells. Angew. Chem. Int. Ed. 2024, 63, e202404385.
45. Chen, H.; Teale, S.; Chen, B.; et al. Quantum-size-tuned heterostructures enable efficient and stable inverted perovskite solar cells. Nat. Photon. 2022, 16, 352-8.
46. Masi, S.; Gualdrón-reyes, A. F.; Mora-seró, I. Stabilization of black perovskite phase in FAPbI3 and CsPbI3. ACS. Energy. Lett. 2020, 5, 1974-85.
47. Teale, S.; Degani, M.; Chen, B.; Sargent, E. H.; Grancini, G. Molecular cation and low-dimensional perovskite surface passivation in perovskite solar cells. Nat. Energy. 2024, 9, 779-92.
48. Wang, H.; Zhang, Z.; Wang, X.; Duan, L.; Luo, J. Phenyltrimethylammonium chloride additive for highly efficient and stable FAPbI3 perovskite solar cells. Nano. Energy. 2024, 123, 109423.
49. Zhang, J.; Yu, H. Multifunctional dopamine-assisted preparation of efficient and stable perovskite solar cells. J. Energy. Chem. 2021, 54, 291-300.
50. Lin, Y.; Lin, Z.; Lv, S.; et al. A Nd@C82-polymer interface for efficient and stable perovskite solar cells. Nature 2025, 642, 78-84.
51. Zhao, C.; Wang, F.; Hu, X.; et al. Ambient blade-coated perovskite solar cells with high reverse bias stability enabled by polymeric hole transporter design. Nat. Commun. 2025, 16, 10355.






