Steric hindrance induced low exciton binding energy enables low-driving-force organic solar cells

IF 13.9 Q1 CHEMISTRY, MULTIDISCIPLINARY Aggregate (Hoboken, N.J.) Pub Date : 2024-07-02 DOI:10.1002/agt2.632
Tianyu Hu, Xufan Zheng, Ting Wang, Aziz Saparbaev, Bowen Gao, Jingnan Wu, Jingyi Xiong, Ming Wan, Tingting Cong, Yuda Li, Ergang Wang, Xunchang Wang, Renqiang Yang
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Abstract

Exciton binding energy (Eb) has been regarded as a critical parameter in charge separation during photovoltaic conversion. Minimizing the Eb of the photovoltaic materials can facilitate the exciton dissociation in low-driving force organic solar cells (OSCs) and thus improve the power conversion efficiency (PCE); nevertheless, diminishing the Eb with deliberate design principles remains a significant challenge. Herein, bulky side chain as steric hindrance structure was inserted into Y-series acceptors to minimize the Eb by modulating the intra- and intermolecular interaction. Theoretical and experimental results indicate that steric hindrance-induced optimal intra- and intermolecular interaction can enhance molecular polarizability, promote electronic orbital overlap between molecules, and facilitate delocalized charge transfer pathways, thereby resulting in a low Eb. The conspicuously reduced Eb obtained in Y-ChC5 with pinpoint steric hindrance modulation can minimize the detrimental effects on exciton dissociation in low-driving-force OSCs, achieving a remarkable PCE of 19.1% with over 95% internal quantum efficiency. Our study provides a new molecular design rationale to reduce the Eb.

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立体阻碍诱导的低激子结合能可实现低驱动力有机太阳能电池
激子结合能(Eb)一直被视为光电转换过程中电荷分离的关键参数。将光伏材料的 Eb 降到最低可以促进低驱动力有机太阳能电池(OSC)中激子的解离,从而提高功率转换效率(PCE);然而,通过深思熟虑的设计原则降低 Eb 仍然是一项重大挑战。在此,我们在 Y 系列受体中加入了作为立体阻碍结构的笨重侧链,通过调节分子内和分子间的相互作用将 Eb 降到最低。理论和实验结果表明,立体阻碍引起的最佳分子内和分子间相互作用可提高分子极化性,促进分子间电子轨道重叠,并促进电荷转移的非局域化途径,从而实现低 Eb。通过精确的立体阻碍调制,Y-ChC5 中的 Eb 明显降低,从而最大限度地减少了对低驱动力 OSC 中激子解离的不利影响,实现了 19.1% 的出色 PCE 和超过 95% 的内部量子效率。我们的研究为降低 Eb 提供了新的分子设计原理。
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审稿时长
7 weeks
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Issue Information Inside Front Cover: Stimuli-responsive photoluminescent copper(I) halides for scintillation, anticounterfeiting, and light-emitting diode applications Inside Back Cover: Supramolecular self-assembled nanoparticles for targeted therapy of myocardial infarction by enhancing cardiomyocyte mitophagy Front Cover: Steric hindrance induced low exciton binding energy enables low-driving-force organic solar cells Back Cover: Lysine aggregates-based nanostructured antimicrobial peptides for cariogenic biofilm microenvironment-activated caries treatment
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