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Journal of Synthetic Crystals ›› 2026, Vol. 55 ›› Issue (5): 753-762.DOI: 10.16553/j.cnki.issn1000-985x.2025.0245

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Organic Phosphonate-Modified FA0.8MA0.15Cs0.05Pb(I0.76Br0.24)3 Perovskite Solar Cells and Their Performance

JIA Xuefeng(), YE Linfeng, RUAN Miao, SHI Chenyu, WANG Zhichao, NI Yufeng, GUO Yonggang, GAO Peng   

  1. Xi’an Solar Power Branch,Qinghai Huanghe Hydropower Development Co. ,Ltd. ,Xi’an 710010,China
  • Received:2025-12-05 Online:2026-05-20 Published:2026-06-09

Abstract: The development of wide-bandgap perovskite solar cells is limited by the high defect density and severe non-radiative recombination within their films. This study proposes the use of 4-methoxyphenyldiethylphosphonate (DM) as a multifunctional additive to mitigate these problems. The P=O group in the DM molecule can form stable coordination bonds with under-coordinated Pb2+, effectively passivating defects. Simultaneously, its methoxy group regulates the local charge distribution through an electron-donating effect, thereby synergistically optimizing the crystallization process. Furthermore, the π-π stacking interactions between the benzene rings of DM molecules enhance the film's hydrophobicity, thereby improving environmental stability. The DM-modified wide-bandgap perovskite solar cell achieve a power conversion efficiency (PCE) of 22.08%. In contrast, the PCE of the control device without DM is only 18.89%. Furthermore, DM modification increase the open-circuit voltage (Voc) from 1.082 V to 1.127 V, the short-circuit current density (Jsc) from 22.33 mA·cm-2 to 23.78 mA·cm-2, and the fill factor (FF) from 78.17% to 82.39%. The unencapsulated DM-modified device retained 91.2% of its initial efficiency after 30 d of storage at 25 ℃ and 10%~40% relative humidity, significantly outperforming the control device(85.3%). These results strongly demonstrate the significant potential of DM as a functional additive for fabricating high-quality perovskite films and realizing high-performance devices, laying both experimental and theoretical foundations for its subsequent practical application.

Key words: wide-bandgap perovskite solar cell; defect passivation; non-radiative recombination; additive engineering; crystallization modulation; stability

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