Lai Hanjian, Chen Hui, Zhou Jiadong, Qu Jianfei, Wang Meijing, Xie Weicheng, Xie Zengqi, He Feng
Shenzhen Grubbs Institute and Department of Chemistry , Southern University of Science and Technology , Shenzhen 518055 , P. R. China.
School of Chemistry and Chemical Engineering , Harbin Institute of Technology , Harbin 150001 , China.
J Phys Chem Lett. 2019 Aug 15;10(16):4737-4743. doi: 10.1021/acs.jpclett.9b01931. Epub 2019 Aug 6.
Two chlorine-substituted isomers, and , were synthesized for potential use as nonfullerene acceptors. The two molecules differ in the position of chlorine atoms, leading to symmetric () and asymmetric () molecular configuration. In single crystals, the two molecules exhibit a completely different arrangement and stacking as derived from X-ray diffraction analysis. Whereas has a linear packing structure, forms a 3D interpenetrating network structure with shorter π-π distances and better molecular planarity. Therefore, a high power conversion efficiency of >12% is obtained by -based devices. It is ∼10% higher than that of -based devices due to the chlorine substituent effect. Thus the fine-tuning of the Cl-substituted position seems to be a promising strategy to construct a 3D interpenetrating charge transportation network and achieve higher performance organic solar cells (OSCs).
合成了两种氯取代异构体， 和 ，用作潜在的非富勒烯受体。这两种分子的氯原子位置不同，导致分子构型对称（ ）和不对称（ ）。在单晶中，根据X射线衍射分析，这两种分子表现出完全不同的排列和堆积方式。 具有线性堆积结构， 形成具有较短π-π距离和更好分子平面性的三维互穿网络结构。因此，基于 的器件可获得大于12%的高功率转换效率。由于氯取代基效应，它比基于 的器件高出约10%。因此，微调氯取代位置似乎是构建三维互穿电荷传输网络并实现更高性能有机太阳能电池（OSC）的一种有前景的策略。
