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Flash Infrared Annealing for Perovskite Solar Cell Processing
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Sulfur-Modulated Fully-Conjugated Self-Assembled Monolayers for Synergistic Dual-Interface Optimization in Inverted

Song Yao1, Qianyu Su1, Shunan Sui1

  • 1State Key Laboratory of Flexible Electronics (LoFE) & Institute of Advanced Materials (IAM), School of Flexible Electronics (Future Technologies), Nanjing Tech University (NanjingTech), Nanjing, China.

Angewandte Chemie (International Ed. in English)
|March 4, 2026
PubMed
Summary

New sulfur-modulated self-assembled monolayers (SAMs) significantly boost efficiency and stability in perovskite solar cells (PSCs). These SAMs improve interface passivation and hole extraction, leading to record power conversion efficiencies and long-term operational durability.

Keywords:
dual‐interface optimizationinverted perovskite solar cellsself‐assembled monolayers

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Area of Science:

  • Materials Science
  • Renewable Energy
  • Organic Electronics

Background:

  • High efficiency and stability in inverted perovskite solar cells (PSCs) require uniform self-assembled monolayer (SAM) coverage and effective defect passivation at the perovskite buried interface.
  • Current methods face challenges in achieving optimal interface properties for enhanced device performance.

Purpose of the Study:

  • To develop novel sulfur-modulated fully-conjugated SAMs for improved performance in inverted PSCs.
  • To investigate the impact of substituent regulation and linker adjustment on SAM properties and device efficiency.
  • To enhance defect passivation and charge extraction at the ITO/perovskite interface.

Main Methods:

  • Synthesis of two novel sulfur-modulated SAMs: 4-(bis(4-methylthiophenyl)amino)phenylphosphonic acid (SMe-TPA-PA) and 5-(4-bis(4-methylthiophenyl)amino)phenyl) thiophenylphosphonic acid (SMe-TPA-ThPA).
  • Application of SAMs onto ITO substrates for inverted PSC fabrication.
  • Characterization of SAM properties, including interface coverage, energy level alignment, and defect passivation.
  • Performance evaluation of PSCs using current-voltage measurements and long-term stability testing (light soaking and thermal aging).

Main Results:

  • The developed SAMs, SMe-TPA-PA and SMe-TPA-ThPA, demonstrated enhanced defect-passivation capabilities due to methylthio substituents.
  • SMe-TPA-ThPA, with its thiophene linker, showed improved intermolecular interactions, better energy level alignment, uniform coverage, and efficient hole extraction.
  • Inverted PSCs utilizing SMe-TPA-ThPA and SMe-TPA-PA achieved high power conversion efficiencies (PCEs) of 26.52% and 25.40%, respectively, outperforming the control device (24.31%).
  • Devices with SMe-TPA-ThPA exhibited excellent operational stability, retaining 91.8% PCE after 1700 h of light soaking and 91.2% after 1700 h of thermal aging at 65°C.

Conclusions:

  • Sulfur-modulated SAMs offer a promising strategy for simultaneously enhancing efficiency and stability in inverted PSCs.
  • The synergistic dual-interface modification achieved by these SAMs effectively passivates defects and optimizes charge transfer.
  • SMe-TPA-ThPA represents a highly effective interfacial layer for high-performance and durable perovskite solar cells.