Polymerized Y-series non-fullerene acceptors as robust electron-transporting layer for efficient inverted perovskite solar cells

IF 38.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Joule Pub Date : 2025-05-09 DOI:10.1016/j.joule.2025.101955

Kai-Kai Liu, Ze-Fan Yao, Deng Wang, Xiaofeng Huang, Qian Li, Zhenhuang Su, Zixin Zeng, Francis R. Lin, Chaowei Zhao, Wenlin Jiang, Ming Liu, Dangyuan Lei, Sai-Wing Tsang, Alex K.-Y. Jen

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引用次数: 0

Abstract

The development of Y-series non-fullerene acceptors (Y-NFAs) has significantly advanced organic photovoltaics. However, to achieve comparable success as efficient and robust electron-transporting layers (ETLs) for perovskite photovoltaics, it requires rational structural modifications of Y-NFAs to optimize their intrinsic electronic properties, thermal stability, and interfacial compatibility with perovskites. This study identifies polymerized Y-NFAs (PY-NFAs) as promising ETL candidates based on their enhanced intermolecular π-π stacking and thermal stability. Specifically, (1) the pre-aggregation of PY-NFAs in solution facilitates more ordered π-π stacking in the film compared with monomeric Y-NFA for improving carrier transport. Additionally, the higher glass-transition temperatures of PY-NFAs can help mitigate the thermal stress on electronic properties. (2) Enhanced interactions between the bridge units and adjacent conjugated units in PY-NFAs optimize molecular packing planarity, thereby improving carrier dynamics and enabling effective defect passivation on the perovskite surface. Optimized inverted devices with a PY-NFA ETL effectively balance efficiency and thermal stability.

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聚合y系列非富勒烯受体作为高效倒钙钛矿太阳能电池的稳健电子传输层

y系列非富勒烯受体（y - nfa）的发展对有机光伏发电具有重要的推动作用。然而，为了在钙钛矿光伏电池中获得与之相当的高效和稳健的电子传输层（etl），需要对y - nfa进行合理的结构修改，以优化其固有电子性能、热稳定性和与钙钛矿的界面相容性。本研究基于其增强的分子间π-π堆叠和热稳定性，确定了聚合y - nfa （py - nfa）是有前途的ETL候选者。具体来说，(1)与单体Y-NFA相比，py - nfa在溶液中的预聚集有利于薄膜中更有序的π-π堆积，从而改善载流子输运。此外，py - nfa较高的玻璃化转变温度有助于减轻电子性能上的热应力。(2) py - nfa中桥单元与相邻共轭单元之间的相互作用增强，优化了分子堆积平面度，从而改善了载流子动力学，实现了钙钛矿表面缺陷的有效钝化。优化后的倒置器件采用PY-NFA ETL，有效地平衡了效率和热稳定性。

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来源期刊

Joule Energy-General Energy

CiteScore

53.10

自引率

2.00%

发文量

198

期刊介绍： Joule is a sister journal to Cell that focuses on research, analysis, and ideas related to sustainable energy. It aims to address the global challenge of the need for more sustainable energy solutions. Joule is a forward-looking journal that bridges disciplines and scales of energy research. It connects researchers and analysts working on scientific, technical, economic, policy, and social challenges related to sustainable energy. The journal covers a wide range of energy research, from fundamental laboratory studies on energy conversion and storage to global-level analysis. Joule aims to highlight and amplify the implications, challenges, and opportunities of novel energy research for different groups in the field.