peri-Fused polyaromatic molecular contacts for perovskite solar cells

Ke Zhao, Qingqing Liu, Libing Yao, Caner Değer, Jiahui Shen, Xu Zhang, Pengju Shi, Yuan Tian, Yixin Luo, Jiazhe Xu, Jingjing Zhou, Donger Jin, Sisi Wang, Wei Fan, Shaochen Zhang, Shenglong Chu, Xiaonan Wang, Liuwen Tian, Ruzhang Liu, Li Zhang, Ilhan Yavuz, Hong-fei Wang, Deren Yang, Rui Wang () and Jingjing Xue ()
Additional contact information
Ke Zhao: Zhejiang University
Qingqing Liu: Westlake Institute for Advanced Study
Libing Yao: Westlake Institute for Advanced Study
Caner Değer: Marmara University
Jiahui Shen: Zhejiang University
Xu Zhang: Zhejiang University
Pengju Shi: Zhejiang University
Yuan Tian: Zhejiang University
Yixin Luo: Zhejiang University
Jiazhe Xu: Zhejiang University
Jingjing Zhou: Zhejiang University
Donger Jin: Zhejiang University
Sisi Wang: Westlake Institute for Advanced Study
Wei Fan: Zhejiang University
Shaochen Zhang: Zhejiang University
Shenglong Chu: Westlake Institute for Advanced Study
Xiaonan Wang: Zhejiang University
Liuwen Tian: Zhejiang University
Ruzhang Liu: Yangzhou University
Li Zhang: Westlake University
Ilhan Yavuz: Marmara University
Hong-fei Wang: Westlake University
Deren Yang: Zhejiang University
Rui Wang: Westlake Institute for Advanced Study
Jingjing Xue: Zhejiang University

Nature, 2024, vol. 632, issue 8024, 301-306

Abstract: Abstract Molecule-based selective contacts have become a crucial component to ensure high-efficiency inverted perovskite solar cells1–5. These molecules always consist of a conjugated core with heteroatom substitution to render the desirable carrier-transport capability6–9. So far, the design of successful conjugation cores has been limited to two N-substituted π-conjugated structures, carbazole and triphenylamine, with molecular optimization evolving around their derivatives2,5,10–12. However, further improvement of the device longevity has been hampered by the concomitant limitations of the molecular stability induced by such heteroatom-substituted structures13,14. A more robust molecular contact without sacrificing the electronic properties is in urgent demand, but remains a challenge. Here we report a peri-fused polyaromatic core structure without heteroatom substitution that yields superior carrier transport and selectivity over conventional heteroatom-substituted core structures. This core structure produced a relatively chemically inert and structurally rigid molecular contact, which considerably improved the performance of perovskite solar cells in terms of both efficiency and durability. The champion device showed an efficiency up to 26.1% with greatly improved longevity under different accelerated-ageing tests.

Date: 2024
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DOI: 10.1038/s41586-024-07712-6

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