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<p>Self-assembled monolayers (SAMs) are pivotal in optimizing the performance of organic solar cells (OSCs) by minimizing interfacial energy losses, thereby enhancing overall device efficiencies. Herein, we develop three π-extended benzocarbazole-based SAM molecules, 3DBCP, 3BCP, and 4BCP, as hole transport materials for OSCs. The absorption properties, solubility, magnitude and orientation of dipole moment, as well as energy level alignment of these molecules, are meticulously tuned via the synergistic effects of asymmetric skeletons and odd-even effects. Among them, the asymmetric 4BCP, featuring an even-numbered carbon alkyl linker, exhibits enhanced solubility, a higher dipole moment, and more favorable energy level alignment, thereby achieving superior surface coverage and uniformity on indium tin oxide electrodes. This optimized interface minimizes contact defects between the electrode and the active layer, facilitating improved hole extraction and collection. OSCs employing 4BCP achieve a striking power conversion efficiency (PCE) of 19.7%, coupled with excellent storage stability. Importantly, the scalability of this approach is also validated: a 1.10 cm<sup>2</sup> large-area device and an 11.09 cm<sup>2</sup> minimodule yield PCEs of 17.2% and 15.7%, respectively. These results highlight the practical potential of 4BCP to enable scalable, high-performance OSCs suitable for industrial applications.</p>

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π-Extended benzocarbazole-based self-assembled monolayer materials for high-performance organic solar cells and modules

  • 期刊论文

  • 发表日期：

    2025年7月21日

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  • Qiuju Xu,
  • Kaichen Xing,
  • Hongju Zhu,
  • Jin-Yun Wang,
  • Dongdong Cai,
  • Di Wang,
  • Kongzhao Su,
  • Yi Li,
  • Yunlong Ma,
  • Qingdong Zheng

摘要

Self-assembled monolayers (SAMs) are pivotal in optimizing the performance of organic solar cells (OSCs) by minimizing interfacial energy losses, thereby enhancing overall device efficiencies. Herein, we develop three π-extended benzocarbazole-based SAM molecules, 3DBCP, 3BCP, and 4BCP, as hole transport materials for OSCs. The absorption properties, solubility, magnitude and orientation of dipole moment, as well as energy level alignment of these molecules, are meticulously tuned via the synergistic effects of asymmetric skeletons and odd-even effects. Among them, the asymmetric 4BCP, featuring an even-numbered carbon alkyl linker, exhibits enhanced solubility, a higher dipole moment, and more favorable energy level alignment, thereby achieving superior surface coverage and uniformity on indium tin oxide electrodes. This optimized interface minimizes contact defects between the electrode and the active layer, facilitating improved hole extraction and collection. OSCs employing 4BCP achieve a striking power conversion efficiency (PCE) of 19.7%, coupled with excellent storage stability. Importantly, the scalability of this approach is also validated: a 1.10 cm2 large-area device and an 11.09 cm2 minimodule yield PCEs of 17.2% and 15.7%, respectively. These results highlight the practical potential of 4BCP to enable scalable, high-performance OSCs suitable for industrial applications.