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<p>Molecular selective contacts are promising for increasing the power conversion efficiency of perovskite solar cells. Although highly conjugated and rigid hole-selective contacts with ordered π–π stacking facilitate efficient carrier transport, the strong intermolecular interactions responsible for such stacking also trigger molecular aggregation, compromising the homogeneity of the contact and, therefore, operational stability. Here we report a molecular contact featuring an axially chiral framework through a non-coplanar arrangement of the two π-systems and restricted N–C rotation. With an extremely low isomerization barrier of 4.37 kcal mol<sup>−1</sup>, the molecule exhibits suppressed aggregation and promotes uniform packing, yielding a homogeneous and stable interface. Devices incorporating this molecular contact delivered a power conversion efficiency of 26.91% (certified, 26.44%) and 22.14% for aperture areas of 0.08 cm<sup>2</sup> and 69 cm<sup>2</sup> (modules), respectively. The small-area devices achieve a <i>T</i><sub>98</sub> lifetime of over 2,000 h under continuous 1-sun maximum power point operation at 65 °C.</p>

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Axially chiral molecular contacts with low isomerization barriers for perovskite solar cells

  • 期刊论文

  • 发表日期：

    2026年1月19日

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  • Wenhan Yang,
  • Xin Guan,
  • Qingbin Cai,
  • Yuexin Lin,
  • Zuhong Zhang,
  • Jinbo Zhao,
  • Jia Guo,
  • Annan Zhu,
  • Fenqi Du,
  • Wenjing Zhu,
  • Jin Liu,
  • Sen Jiang,
  • Nan Zhang,
  • Xiaolong Liu,
  • Lei Zhang,
  • Youshen Wu,
  • Shengchun Yang,
  • Meng Li,
  • Chao Liang

摘要

Molecular selective contacts are promising for increasing the power conversion efficiency of perovskite solar cells. Although highly conjugated and rigid hole-selective contacts with ordered π–π stacking facilitate efficient carrier transport, the strong intermolecular interactions responsible for such stacking also trigger molecular aggregation, compromising the homogeneity of the contact and, therefore, operational stability. Here we report a molecular contact featuring an axially chiral framework through a non-coplanar arrangement of the two π-systems and restricted N–C rotation. With an extremely low isomerization barrier of 4.37 kcal mol−1, the molecule exhibits suppressed aggregation and promotes uniform packing, yielding a homogeneous and stable interface. Devices incorporating this molecular contact delivered a power conversion efficiency of 26.91% (certified, 26.44%) and 22.14% for aperture areas of 0.08 cm2 and 69 cm2 (modules), respectively. The small-area devices achieve a T98 lifetime of over 2,000 h under continuous 1-sun maximum power point operation at 65 °C.