Gu Xiaobin, Wei Yanan, Zeng Rui, Lv Jikai, Hou Yuqi, Yu Na, Tan Senke, Wang Zaiyu, Li Congqi, Tang Zheng, Peng Qian, Liu Feng, Cai Yunhao, Zhang Xin, Huang Hui
College of Materials Science and Opto-Electronic Technology, Center of Materials Science and Optoelectronics Engineering, CAS Center for Excellence in Topological Quantum Computation, and CAS Key Laboratory of Vacuum Physics, University of Chinese Academy of Sciences, Beijing, 101408, China.
School of Chemistry and Chemical Engineering, Frontiers Science Center for Transformative Molecules, In situ Center for Physical Science, and Center of Hydrogen Science, Shanghai Jiao Tong University, Shanghai, 200240, China.
Angew Chem Int Ed Engl. 2025 Feb 10;64(7):e202418926. doi: 10.1002/anie.202418926. Epub 2024 Dec 9.
Minimizing energy loss is crucial for breaking through the efficiency bottleneck of organic solar cells (OSCs). The main mechanism of energy loss can be attributed to non-radiative recombination energy loss (ΔE) that occurs due to exciton-vibration coupling. To tackle this challenge, tuning intramolecular noncovalent interactions is strategically utilized to tailor novel fused ring electron acceptors (FREAs). Upon comprehensive analysis of both theoretical and experimental results, this approach can effectively enhance molecular rigidity, suppress structural relaxation, reduce exciton reorganization energy, and weakens exciton-vibration coupling strength. Consequently, the binary OSC device based on Y-SeSe, which features dual strong intramolecular Se ⋅ ⋅ ⋅ O noncovalent interactions, achieves an outstanding power conversion efficiency (PCE) of 19.49 %, accompanied by an extremely small ΔE of 0.184 eV, much lower than those of Y-SS and Y-SSe based devices with weaker intramolecular noncovalent interactions. These achievements not only set an efficiency record for selenium-containing OSCs, but also mark the lowest reported ΔE value among high-performance binary devices. Furthermore, the ternary blend device showcases a remarkable PCE of 20.51 %, one of the highest PCEs for single-junction OSCs. This work demonstrates the effectiveness of intramolecular noncovalent interactions in suppressing exciton-vibration coupling, thereby achieving low-energy-loss and high-efficiency OSCs.
将能量损失降至最低对于突破有机太阳能电池（OSC）的效率瓶颈至关重要。能量损失的主要机制可归因于由于激子-振动耦合而发生的非辐射复合能量损失（ΔE）。为应对这一挑战，策略性地利用调节分子内非共价相互作用来定制新型稠环电子受体（FREA）。通过对理论和实验结果的综合分析，这种方法可以有效地提高分子刚性、抑制结构弛豫、降低激子重组能并削弱激子-振动耦合强度。因此，基于Y-SeSe的二元OSC器件具有双重强分子内Se⋅⋅⋅O非共价相互作用，实现了19.49%的出色功率转换效率（PCE），同时伴随着0.184 eV的极小ΔE，远低于具有较弱分子内非共价相互作用的基于Y-SS和Y-SSe的器件。这些成果不仅创造了含硒OSC的效率记录，也标志着高性能二元器件中报道的最低ΔE值。此外，三元共混器件展现出20.51%的卓越PCE，是单结OSC中最高的PCE之一。这项工作证明了分子内非共价相互作用在抑制激子-振动耦合方面的有效性，从而实现了低能量损失和高效率的OSC。
