Synergistically manipulating the shape of alkyl-chain and asymmetric side groups of non-fullerene acceptors enables organic solar cells to reach 18.5% efficiency

IF 5.4 1区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

GIANT Pub Date : 2024-05-23 DOI:10.1016/j.giant.2024.100294

Xinyu Tong , Zhenyu Chen , Jingyu Shi , Jinfeng Ge , Wei Song , Yuanyuan Meng , Ziyi Ge

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Abstract

Side-chain modification and asymmetric design for non-fullerene acceptors (NFAs) have been proven to be effective methods for harvesting high-performance organic solar cells (OSCs). Combining the two molecular design strategies, we adopted phenyl chain and alkyl chains with different shapes to develop two novel asymmetric NFAs, named BTP-P2EHC11 and BTP-P2EHC2C4. Compared with BTP-P2EHC2C4 attached 2-ethylhexyl side chain, BTP-P2EHC11 with linear alkyl side chain have slightly red-shifted absorption and intensive absorption strength. Moreover, the PM6:BTP-P2EHC11 blend film presents higher and more balanced charge mobilities, reducing charge recombination, tighter intermolecular packing and more favorable fibrous network morphology with appropriate phase separation than PM6:BTP-P2EHC2C4, which lead to significantly enhanced short-circuit current density (J_SC) of PM6:BTP-P2EHC11-based devices. Thus, the OSCs based on PM6:BTP-P2EHC11 achieve a superior power conversion efficiency (PCE) of 18.50% with a good trade-off among open-circuit voltage (V_OC) of 0.876 V, J_SC of 26.85 mA cm⁻² and fill factor (FF) of 78.65%, while PM6:BTP-P2EHC2C4-based device exhibits a lower PCE of 17.49%. Our investigation elucidates that the combination of finely optimizing the shape of alkyl-chain and asymmetric side groups of NFAs could pave a promising avenue toward morphology optimization and performance promotion of OSCs.

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协同操纵非富勒烯受体的烷基链和不对称侧基的形状，使有机太阳能电池的效率达到 18.5%

非富勒烯受体（NFAs）的侧链修饰和不对称设计已被证明是获得高性能有机太阳能电池（OSCs）的有效方法。结合这两种分子设计策略，我们采用不同形状的苯基链和烷基链开发了两种新型不对称非富勒烯受体，分别命名为 BTP-P2EHC11 和 BTP-P2EHC2C4。与带有 2-乙基己基侧链的 BTP-P2EHC2C4 相比，带有线性烷基侧链的 BTP-P2EHC11 的吸收率略有红移，吸收强度较大。此外，与 PM6:BTP-P2EHC2C4 相比，PM6:BTP-P2EHC11 混合薄膜具有更高更均衡的电荷迁移率、更低的电荷重组、更紧密的分子间堆积和更有利的纤维状网络形态以及适当的相分离，从而显著提高了基于 PM6:BTP-P2EHC11 器件的短路电流密度（JSC）。因此，基于 PM6:BTP-P2EHC11 的 OSC 在开路电压 (VOC) 0.876 V、短路电流密度 (JSC) 26.85 mA cm-2 和填充因子 (FF) 78.65% 之间实现了 18.50% 的出色功率转换效率 (PCE)，而基于 PM6:BTP-P2EHC2C4 的器件则表现出 17.49% 的较低 PCE。我们的研究阐明，将烷基链的形状和 NFA 的不对称侧基进行精细优化相结合，可以为 OSC 的形态优化和性能提升铺平道路。

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来源期刊

GIANT Multiple-

CiteScore

8.50

自引率

8.60%

发文量

审稿时长

42 days

期刊介绍： Giant is an interdisciplinary title focusing on fundamental and applied macromolecular science spanning all chemistry, physics, biology, and materials aspects of the field in the broadest sense. Key areas covered include macromolecular chemistry, supramolecular assembly, multiscale and multifunctional materials, organic-inorganic hybrid materials, biophysics, biomimetics and surface science. Core topics range from developments in synthesis, characterisation and assembly towards creating uniformly sized precision macromolecules with tailored properties, to the design and assembly of nanostructured materials in multiple dimensions, and further to the study of smart or living designer materials with tuneable multiscale properties.