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<p>Nickel oxide (NiO<sub><i>x</i></sub>) is widely used as a hole transport material in inverted perovskite solar cells. However, its practical application is limited by its low intrinsic conductivity and insufficient hole extraction ability, which leads to significant interfacial defect formation that reduces device efficiency and stability. To overcome these issues, small organic molecules (2,6-NOT and 1,5-NOT) have been developed and introduced to modify NiO<sub><i>x</i></sub>. The two molecules are isomers that share the same structure but differ in the substitution positions of the functional groups. The experimental results show that, compared with 2,6-NOT, 1,5-NOT, featuring extended conjugation, more effectively enhances the hole extraction/transport capabilities and conductivity of NiO<sub><i>x</i></sub>. The NiO<sub><i>x</i></sub>/1,5-NOT-based device achieves a remarkable power conversion efficiency of 24.20%, along with excellent long-term stability, surpassing those of the NiO<sub><i>x</i></sub> control device (18.12%) and the 2,6-NOT-based device (21.87%). These findings demonstrate that modifying NiO<sub><i>x</i></sub> with small organic molecules can significantly improve the charge transport performance and that increasing the molecular planarity is particularly beneficial for enhancing hole transport and reducing the number of defects, thereby increasing both the efficiency and stability. These results provide a new strategy for NiO<sub><i>x</i></sub> modification via small organic molecules.</p>

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Enhancing NiOx hole transport properties through planarity modulation of organic small molecules for inverted perovskite solar cells

  • 期刊论文

  • 发表日期：

    2025年11月10日

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  • Miaoxin Li,
  • Hao Sun,
  • Fei Wu,
  • Huilin Xie,
  • Mingxin Wang,
  • Junhong Tan,
  • Cheng Zhong,
  • Linna Zhu

摘要

Nickel oxide (NiOx) is widely used as a hole transport material in inverted perovskite solar cells. However, its practical application is limited by its low intrinsic conductivity and insufficient hole extraction ability, which leads to significant interfacial defect formation that reduces device efficiency and stability. To overcome these issues, small organic molecules (2,6-NOT and 1,5-NOT) have been developed and introduced to modify NiOx. The two molecules are isomers that share the same structure but differ in the substitution positions of the functional groups. The experimental results show that, compared with 2,6-NOT, 1,5-NOT, featuring extended conjugation, more effectively enhances the hole extraction/transport capabilities and conductivity of NiOx. The NiOx/1,5-NOT-based device achieves a remarkable power conversion efficiency of 24.20%, along with excellent long-term stability, surpassing those of the NiOx control device (18.12%) and the 2,6-NOT-based device (21.87%). These findings demonstrate that modifying NiOx with small organic molecules can significantly improve the charge transport performance and that increasing the molecular planarity is particularly beneficial for enhancing hole transport and reducing the number of defects, thereby increasing both the efficiency and stability. These results provide a new strategy for NiOx modification via small organic molecules.