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Updated: Jun 15, 2026

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
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Structure-Guided Additive Engineering for Efficient and Stable Perovskite Solar Cells.

Xiangrui Du1,2, Haicheng Xia2, Yongzan Chen2

  • 1State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China.

ACS Applied Materials & Interfaces
|July 18, 2025
PubMed
Summary

Conjugated molecules like 4-aminobenzylphosphonic acid (4-ABzPA) enhance perovskite solar cells (PSCs) by passivating defects. This leads to improved efficiency and stability compared to nonconjugated alternatives.

Keywords:
conjugated additivesdefect passivationlong-term stabilitymolecular designperovskite solar cells

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Area of Science:

  • Materials Science
  • Photovoltaics
  • Chemistry

Background:

  • Functional additives are crucial for passivating defects in perovskite active layers to boost perovskite solar cell (PSC) performance.
  • The choice of additive structure significantly impacts device efficiency and stability.

Purpose of the Study:

  • To evaluate the defect-passivating capabilities of the conjugated molecule 4-aminobenzylphosphonic acid (4-ABzPA).
  • To compare 4-ABzPA with its nonconjugated analog, 2-aminoethylphosphonic acid (2-AEPA).
  • To assess the role of conjugation in defect passivation, crystallization, energy-level alignment, and stability.

Main Methods:

  • Comparative analysis of conjugated (4-ABzPA) and nonconjugated (2-AEPA) molecules.
  • Investigation of molecular properties including electron delocalization and coordination behavior.
  • Assessment of perovskite film quality, energy-level alignment, and charge transport pathways.
  • Fabrication and testing of PSC devices incorporating the additives.

Main Results:

  • 4-ABzPA exhibits superior electron delocalization compared to 2-AEPA.
  • 4-ABzPA shows enhanced coordination of P=O groups with Pb2+ and improved suppression of halide vacancies by NH2 groups.
  • Synergistic passivation by 4-ABzPA significantly reduces defect density, yielding high-quality perovskite films.
  • 4-ABzPA optimizes energy-level alignment and charge transport, resulting in a champion PSC efficiency of 24.01% with excellent stability.

Conclusions:

  • Conjugated molecules offer unique advantages for defect passivation in PSCs.
  • 4-ABzPA effectively enhances perovskite film quality, device performance, and long-term stability.
  • The study highlights the importance of molecular structure, specifically conjugation, in designing advanced functional additives for solar cells.