期刊
ACS APPLIED MATERIALS & INTERFACES
卷 10, 期 46, 页码 39992-40000出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.8b15923
关键词
chlorine; molecular interlocked network; J-aggregation; non-fullerene acceptors; single crystals
资金
- National Natural Science Foundation of China [51603100, 51773087, 21733005]
- Natural Science Foundation of Guangdong Province [2016A030313637]
- Shenzhen Fundamental Research program [JCYJ20160504151731734, JCYJ20170817111214740]
- Shenzhen Nobel Prize Scientists Laboratory Project [C17783101]
The differences between the introduction of chlorine and fluorine atoms to small-molecule acceptors were deeply investigated. From the single-crystal structures of three molecules, the Cl-substitution intervention into the molecular configuration and packing mainly lies in three aspects as follows: single molecule configuration, one direction of the intermolecular arrangement, and three-dimensional (3D) molecular packing. First, the introduction of the chlorine atom in IDIC-4Cl leads to a more planar molecular configuration than IDIC-4H and IDIC-4F because of the formation of a molecular interlocked network induced by the strong Cl center dot center dot center dot S intermolecular interactions. Second, IDIC-4Cl shows the closest pi-pi stacking distance and the smallest dihedral angle (0 degrees) between adjacent molecules to form ideal J-aggregation, which should be beneficial for charge transportation between different connected molecules in this direction. Finally, the interlocked interactions between Cl and S atoms lead to a highly ordered 3D molecular packing, in which the end groups will form an ideal overlapped packing among different molecules, whereas the other two analogues with H or F show less ordered packing of their 1,1-dicyanomethylene-3-indanone ending groups. Organic solar cells based on IDIC-4Cl show the highest power conversion efficiency (PCE) of 9.24%, whereas the PCEs of IDIC-4H- and IDIC-4F-based devices are 4.57 and 7.10%, respectively.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据