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<p>Recently, most organic solar cells (OSCs) use self-assembled monolayers (SAMs) as the hole transport layer (HTL) with lower parasitic absorption, where the coverage of the SAM HTL on the indium-tin-oxide (ITO) electrode needs to be improved for further increasing power conversion efficiency (PCE) of the OSCs. In this work, we replace the alkyl chain linking unit in the conventional SAM MeOF-4PACz with naphthalene unit to enhance the intermolecular interaction of the SAMs for improving the coverage, then a new molecule (6-(3-fluoro-6-methoxy-9H-carbazol-9-yl)naphthalen-2-yl) phosphonicacid (MeOF-NaPACz) was synthesized. Compared to MeOF-4PACz, the introduction of the naphthalene linking unit endows MeOF-NaPACz with a higher degree of conjugation and a larger dipole moment, which enables it to form a film on the ITO surface that features higher coverage and higher conductivity. Moreover, MeOF-NaPACz demonstrates a deeper highest occupied molecular orbital energy level, and the ITO/MeOF-NaPACz electrode possesses a deeper work function. These advantageous properties not only enhance the hole extraction within the device but also effectively reduce the interface impedance and mitigate the non-radiative charge recombination occurring at the interface. Consequently, the MeOF-NaPACz-based OSCs based on PM6:eC9 exhibits a substantial improvement in PCE from 18.98% for the device with MeOF-4PACz as HTL to 19.72%. These findings highlight the significant impact of modifying SAMs HTL with naphthalene linker on their ITO-coverage and WF-compatibility, and provide an effective strategy for designing SAM HTL to achieve highly efficient OSCs.</p>

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Conjugated linker unit enables self assembly monolayer showing higher coverage of the hole transport layer in organic solar cells

  • 期刊论文

  • 发表日期：

    2025年5月30日

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  • Zekun Chen,
  • Xiaojun Li,
  • Shucheng Qin,
  • HaoZhe He,
  • Yuechen Li,
  • Meng Yuan,
  • Lei Meng,
  • Yongfang Li

摘要

Recently, most organic solar cells (OSCs) use self-assembled monolayers (SAMs) as the hole transport layer (HTL) with lower parasitic absorption, where the coverage of the SAM HTL on the indium-tin-oxide (ITO) electrode needs to be improved for further increasing power conversion efficiency (PCE) of the OSCs. In this work, we replace the alkyl chain linking unit in the conventional SAM MeOF-4PACz with naphthalene unit to enhance the intermolecular interaction of the SAMs for improving the coverage, then a new molecule (6-(3-fluoro-6-methoxy-9H-carbazol-9-yl)naphthalen-2-yl) phosphonicacid (MeOF-NaPACz) was synthesized. Compared to MeOF-4PACz, the introduction of the naphthalene linking unit endows MeOF-NaPACz with a higher degree of conjugation and a larger dipole moment, which enables it to form a film on the ITO surface that features higher coverage and higher conductivity. Moreover, MeOF-NaPACz demonstrates a deeper highest occupied molecular orbital energy level, and the ITO/MeOF-NaPACz electrode possesses a deeper work function. These advantageous properties not only enhance the hole extraction within the device but also effectively reduce the interface impedance and mitigate the non-radiative charge recombination occurring at the interface. Consequently, the MeOF-NaPACz-based OSCs based on PM6:eC9 exhibits a substantial improvement in PCE from 18.98% for the device with MeOF-4PACz as HTL to 19.72%. These findings highlight the significant impact of modifying SAMs HTL with naphthalene linker on their ITO-coverage and WF-compatibility, and provide an effective strategy for designing SAM HTL to achieve highly efficient OSCs.