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Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells

Xu Li, Yuxiao Guo, Xin Luo, Haoyuan Yan and Bo Xu

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 Corresponding author: Yuxiao Guo, guoyuxiao@njust.edu.cn; Bo Xu, boxu@njust.edu.cn

DOI: 10.1088/1674-4926/26020002CSTR: 32376.14.1674-4926.26020002

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[1]
National Renewable Energy Laboratory (NREL), Best research-cell efficiency chart (2025). https://www.nrel.gov/pv/cell-efficiency.html
[2]
Yang G, Ni Z Y, Yu Z J, et al. Defect engineering in wide-bandgap perovskites for efficient perovskite−silicon tandem solar cells. Nat Photonics, 2022, 16(8): 588 doi: 10.1038/s41566-022-01033-8
[3]
Tao J H, Zhao C H, Wang Z J, et al. Suppressing non-radiative recombination for efficient and stable perovskite solar cells. Energy Environ Sci, 2025, 18(2): 509 doi: 10.1039/D4EE02917H
[4]
Yao Y G, Cheng C D, Zhang C Y, et al. Organic hole-transport layers for efficient, stable, and scalable inverted perovskite solar cells. Adv Mater, 2022, 34(44): 2203794 doi: 10.1002/adma.202203794
[5]
Qu G P, Zhang L T, Qiao Y, et al. Self-assembled materials with an ordered hydrophilic bilayer for high performance inverted Perovskite solar cells. Nat Commun, 2025, 16: 86 doi: 10.1038/s41467-024-55523-0
[6]
Chen H, Liu C, Xu J, et al. Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands. Science, 2024, 384(6692): 189 doi: 10.1126/science.adm9474
[7]
Li Z, Sun X L, Zheng X P, et al. Stabilized hole-selective layer for high-performance inverted p-i-n perovskite solar cells. Science, 2023, 382(6668): 284 doi: 10.1126/science.ade9637
[8]
Fei C B, Zhang Y D, Wang M R, et al. Limiting phosphonic acid interlayer−perovskite reactivity to stabilize perovskite solar modules. Science, 2026, 391(6780): eadz7969 doi: 10.1126/science.adz7969
[9]
Chen L, Hu M M, Lee S, et al. Deciphering reaction products in formamidine-based perovskites with methylammonium chloride additive. J Am Chem Soc, 2023, 145(50): 27900 doi: 10.1021/jacs.3c12755
[10]
Pujari S P, Paramonov P B, Wood C, et al. Covalent vs hydrogen-bonded anchoring of phosphonic acids on oxide surfaces. Chem Mater, 2014, 26: 6322
[11]
Fei C, Zhang Y, Wang M, et al. Design of triphenylamine-based phosphonic acid SAMs for perovskite solar cells. J Mater Chem A, 2025, 13: 12456
[12]
Chang Y L, Liu L, Qi L, et al. Highly oriented and ordered co-assembly monolayers for inverted perovskite solar cells. Angew Chem Int Ed, 2025, 64(5): e202418883 doi: 10.1002/anie.202418883
Fig. 1.  (Color online) Schematic illustration, experimental characterizations, and performance validation of 1PA-TPD-mediated interfacial optimization for PSCs. (a) Device architecture of PSCs (ITO/HTL/perovskite/C60/SnO2/Cu) and molecular design strategy of 1PA-TPD, showing strong covalent anchoring to ITO versus weak hydrogen bonding of conventional PA-SAMs. (b) 1H-NMR spectra of MPA, FAI, and the FAI-MPA mixture in DMSO-d6, confirming NH4+ formation from FA+ decomposition. (c) XRD patterns of fresh and aged (85 °C, 100 mW cm−1, 4.5% UV) FA0.9Cs0.1PbI3 films with and without MPA, showing Pb0 diffraction peaks (gray line) in MPA-containing aged films. (d) AFM-IR spectra of ITO/EtCz3EPA before and after acid treatment, monitoring C-H bending at 1020 cm−1, confirming removal of weakly bound SAMs (scale bars: 1 μm). (e) AFM-IR spectra of ITO/1PA-TPD before and after acid treatment, monitoring C-C bending in the benzene ring at 1580 cm−1, showing minimal SAM loss (scale bars: 1 μm). (f) GIXRD patterns of fresh perovskite films on different substrates (peeled from ITO, 0.3° incident angle), revealing enhanced crystallinity in the mixed SAM system. (g) Light-soaking stability of small-area devices (0.08 cm2) under MPP conditions (85±5 °C) with different UV ratios, showing T90 of nearly 3000 hours for target devices. (h) Operational stability of encapsulated minimodules (~23.1 cm2 aperture area) under 85 °C and LEP lamp illumination (100 mW cm−2, 2.2% UV), with the best module achieving T90 ~2200 hours.[8]

[1]
National Renewable Energy Laboratory (NREL), Best research-cell efficiency chart (2025). https://www.nrel.gov/pv/cell-efficiency.html
[2]
Yang G, Ni Z Y, Yu Z J, et al. Defect engineering in wide-bandgap perovskites for efficient perovskite−silicon tandem solar cells. Nat Photonics, 2022, 16(8): 588 doi: 10.1038/s41566-022-01033-8
[3]
Tao J H, Zhao C H, Wang Z J, et al. Suppressing non-radiative recombination for efficient and stable perovskite solar cells. Energy Environ Sci, 2025, 18(2): 509 doi: 10.1039/D4EE02917H
[4]
Yao Y G, Cheng C D, Zhang C Y, et al. Organic hole-transport layers for efficient, stable, and scalable inverted perovskite solar cells. Adv Mater, 2022, 34(44): 2203794 doi: 10.1002/adma.202203794
[5]
Qu G P, Zhang L T, Qiao Y, et al. Self-assembled materials with an ordered hydrophilic bilayer for high performance inverted Perovskite solar cells. Nat Commun, 2025, 16: 86 doi: 10.1038/s41467-024-55523-0
[6]
Chen H, Liu C, Xu J, et al. Improved charge extraction in inverted perovskite solar cells with dual-site-binding ligands. Science, 2024, 384(6692): 189 doi: 10.1126/science.adm9474
[7]
Li Z, Sun X L, Zheng X P, et al. Stabilized hole-selective layer for high-performance inverted p-i-n perovskite solar cells. Science, 2023, 382(6668): 284 doi: 10.1126/science.ade9637
[8]
Fei C B, Zhang Y D, Wang M R, et al. Limiting phosphonic acid interlayer−perovskite reactivity to stabilize perovskite solar modules. Science, 2026, 391(6780): eadz7969 doi: 10.1126/science.adz7969
[9]
Chen L, Hu M M, Lee S, et al. Deciphering reaction products in formamidine-based perovskites with methylammonium chloride additive. J Am Chem Soc, 2023, 145(50): 27900 doi: 10.1021/jacs.3c12755
[10]
Pujari S P, Paramonov P B, Wood C, et al. Covalent vs hydrogen-bonded anchoring of phosphonic acids on oxide surfaces. Chem Mater, 2014, 26: 6322
[11]
Fei C, Zhang Y, Wang M, et al. Design of triphenylamine-based phosphonic acid SAMs for perovskite solar cells. J Mater Chem A, 2025, 13: 12456
[12]
Chang Y L, Liu L, Qi L, et al. Highly oriented and ordered co-assembly monolayers for inverted perovskite solar cells. Angew Chem Int Ed, 2025, 64(5): e202418883 doi: 10.1002/anie.202418883
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    Received: 07 February 2026 Revised: Online: Accepted Manuscript: 27 February 2026

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      Xu Li, Yuxiao Guo, Xin Luo, Haoyuan Yan, Bo Xu. Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/26020002 ****X Li, Y X Guo, X Luo, H Y Yan, and B Xu, Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/26020002
      Citation:
      Xu Li, Yuxiao Guo, Xin Luo, Haoyuan Yan, Bo Xu. Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells[J]. Journal of Semiconductors, 2026, In Press. doi: 10.1088/1674-4926/26020002 ****
      X Li, Y X Guo, X Luo, H Y Yan, and B Xu, Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells[J]. J. Semicond., 2026, accepted doi: 10.1088/1674-4926/26020002

      Mitigating phosphonic acid-perovskite interfacial degradation via molecular engineering for ultra-stable solar cells

      DOI: 10.1088/1674-4926/26020002
      CSTR: 32376.14.1674-4926.26020002
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      • Xu Li is a PhD candidate in the School of Chemistry and Chemical Engineering at Nanjing University of Science and Technology. His research interests focus on the design and development of optoelectronic functional materials, as well as their applications in perovskite solar cells (PSCs)
      • Yuxiao Guo is currently a postdoctoral fellow (cooperation supervisor: Prof. Bo Xu) at Nanjing University of Science and Technology. He received his B.S. and Ph.D. degree in Electronic Science and Technology from Xi’an Jiaotong University in 2016 and 2023, respectively. At present, his research primarily focuses on the photoelectric stability of wide-bandgap mixed-halide perovskites, as well as their applications in the fields of solar cells and light emitting diodes
      • Bo Xu is a Professor and Principal Investigator at the Nanjing University of Science and Technology, China. Following a Ph.D. from the KTH Royal Institute of Technology (2015), he completed postdoctoral fellowships at the University of Washington and Uppsala University. Dr. Xu currently leads the Molecular Electronics research group, specializing in the development of tailored molecular materials for energy and optoelectronic applications. His work, which emphasizes efficiency and stability in photovoltaics and light-emitting diodes, has been widely published in leading journals such as Nature, Nature Communications, Joule, Advanced Materials, and Angewandte Chemie
      • Corresponding author: guoyuxiao@njust.edu.cnboxu@njust.edu.cn
      • Received Date: 2026-02-07
        Available Online: 2026-02-27

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