Zhu Xin, Yang Lei, Pan Yangyang, Yang Yuqin, Ding Xuming, Wan Chuanming, Zhang Zhuo, Luo Yun, Zhou Qinghai, Wang Liwei, Xiao Shengxiong
The Education Ministry Key Lab of Resource Chemistry, Joint International Research Laboratory of Resource Chemistry, Ministry of Education, Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Non-carbon Energy Conversion and Utilization Institute, College of Chemistry and Materials Science, Shanghai Normal University, Shanghai, 200234, P. R. China.
Chemistry. 2024 Mar 20;30(17):e202304167. doi: 10.1002/chem.202304167. Epub 2024 Feb 2.
Although fullerene derivatives such as [6,6]-phenyl-C/C-butyric acid methyl ester (PCBM/PCBM) have dominated the the photoactive acceptor materials in bulk heterojunction organic solar cells (OSCs) for decades, they have several drawbacks such as weak absorption, limited structural tunability, prone to aggregation, and high costs of production. Constructing non-fullerene small molecules with three-dimensional (3D) molecular geometry is one of the strategies to replace fullerenes in OSCs. In this study, a 3D molecule, contorted hexa-cata-hexabenzocoronene tetra perylenediimide (HBC-4-PDI), was designed and synthesized. HBC-4-PDI shows a wide and strong light absorption in the whole UV-vis region as well as suitable energy levels as an acceptor for OSCs. More importantly, the 3D construction effectively reduced the self-aggregation of c-HBC, leading to an appropriate scale phase separation of the blend film morphology in OSCs. A preliminary power conversion efficiency of 2.70 % with a champion open-circuit voltage of 1.06 V was obtained in OSCs with HBC-4-PDI as the acceptor, which was the highest among the previously reported OSCs based on c-HBC derivatives. The results indicated that HBC-4-PDI may serve as a good non-fullerene acceptor for OSCs.
尽管诸如[6,6]-苯基-C/C-丁酸甲酯（PCBM/PCBM）之类的富勒烯衍生物在体异质结有机太阳能电池（OSCs）中主导光活性受体材料已有数十年，但它们存在一些缺点，如吸收较弱、结构可调性有限、易于聚集以及生产成本高昂。构建具有三维（3D）分子几何结构的非富勒烯小分子是在有机太阳能电池中取代富勒烯的策略之一。在本研究中，设计并合成了一种三维分子，扭曲六咔哒六苯并蔻四苝二酰亚胺（HBC-4-PDI）。HBC-4-PDI在整个紫外-可见区域显示出宽且强的光吸收，并且作为有机太阳能电池的受体具有合适的能级。更重要的是，三维结构有效降低了c-HBC的自聚集，导致有机太阳能电池中混合膜形态具有合适的尺度相分离。以HBC-4-PDI作为受体的有机太阳能电池获得了2.70%的初步功率转换效率，其最佳开路电压为1.06 V，这在先前报道的基于c-HBC衍生物的有机太阳能电池中是最高的。结果表明，HBC-4-PDI可能是一种用于有机太阳能电池的良好非富勒烯受体。
