南方科技大学材郭旭岗团队开发了高性能倒置钙钛矿太阳能电池用分子内非共价相互作用的无掺杂剂空穴传输材料。相关研究成果于2021年11月16日发表在《德国应用化学》。

分子内非共价相互作用（INIs）已成为获得具有增强的主链平面性和电荷传输特性的有机半导体的一种强有力的策略。

该文中，研究人员通过构建两个具有INIs集成主干的小分子HTMs，应用INI策略开发高性能钙钛矿太阳能电池（PVSC）用无掺杂空穴传输材料（HTM）。在将非共价S··O相互作用并入由二硫代酚核和两个三苯胺端组成的简单结构主链后，得到的HTMs，BTORA和BTORCNA显示出自平面化主链、调谐的能级、增强的热性能、适当的膜形态和有效的缺陷钝化。

更重要的是，高薄膜结晶度使材料具有大量空穴迁移率，从而使其成为有希望的无掺杂HTMs。因此，基于BTORCNA的倒置PVSC提供了21.10%的显著功率转换效率，并具有长期设备稳定性，显著优于基于BTRA的无S··O相互作用的装置（18.40%）。

研究工作为设计高性能PVSC的高本征迁移率电荷传输层提供了一种通用和实用的方法。

附：英文原文

Title: Intramolecular Noncovalent Interaction-Enabled Dopant-Free Hole-Transporting Materials for High-Performance Inverted Perovskite Solar Cells

Author: Kun Yang, Qiaogan Liao, Jun Huang, Zilong Zhang, Mengyao Su, Zhicai Chen, Ziang Wu, Dong Wang, Ziwei Lai, Han Young Woo, Yan Cao, Peng Gao, Xugang Guo

Issue&Volume: 2021-11-16

Abstract: Intramolecular noncovalent interactions (INIs) have served as a powerful strategy for accessing organic semiconductors with enhanced backbone planarity and charge transport properties. Herein, we apply the INI strategy for developing dopant-free hole-transporting materials (HTMs) by constructing two small-molecular HTMs featuring an INI-integrated backbone for high-performance perovskite solar cells (PVSCs). Upon incorporating noncovalent S···O interaction into their simple-structured backbones consisting of a bithiophene core and two triphenylamine ends, the resulting HTMs, BTORA and BTORCNA, showed self-planarized backbones, tuned energy levels, enhanced thermal properties, appropriate film morphology, and effective defect passivation. More importantly, the high film crystallinity enables the materials with substantial hole mobilities, thus rendering them as promising dopant-free HTMs. Consequently, the BTORCNA-based inverted PVSCs delivered a remarkable power conversion efficiency of 21.10% with encouraging long-term device stability, significantly outperforming the devices based on BTRA without S···O interaction (18.40%). This work offers a general and practical approach to designing charge transporting layers with high intrinsic mobilities for high-performance PVSCs.

DOI: 10.1002/anie.202113749

Source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202113749