基于dithienopyrrolobenzothiadiazole的缺电子异构的分子"骨干手术":依赖形态的晶体结构和电荷传输特性
Yuzhong Chen1, Zeng Wu1, Zekun Chen1
1Department of Materials Science, State Key Laboratory of Molecular Engineering of Polymers, Fudan University Shanghai 200438 China yangwang@fudan.edu.cn.
Chemical science
|August 2, 2024
概括
研究人员通过操纵分子构造来控制晶体包装来设计缺乏电子的异构. 这一策略在BTPO-1中实现了紧的2D结构,显著提高了有机电子的电子流动性.
科学领域:
- 材料科学 材料科学 材料科学
- 有机电子 有机电子
- 晶体学 晶体学是指结晶学.
背景情况:
- 缺电子的异构,特别是dithienopyrrolobenzothiadiazole (BTP) 衍生物,由于其独特的包装和吸收特性,对非富勒烯有机太阳能电池具有前景.
- 控制这些材料的晶体结构对于优化电荷传输至关重要,但仍然是一个重大挑战.
研究的目的:
- 开发一种构造工程策略,以理性地控制BTP系列异质的单晶结构.
- 研究这些材料中的分子构成,晶体包装和电荷传输特性之间的关系.
主要方法:
- 合成BTP系列的异构含有不同类型的烯部分 (BTPO-c,BTPO-z,BTPO-l).
- 单晶X射线衍射分析以确定晶体结构和包装图案.
- 单晶有机场效应晶体管 (SC-OFET) 的制造和表征,以评估电荷传输特性.
主要成果:
- 母分子BTPO-c由于其香形状的形状而表现出3D网络结构.
- BTPO-z,少了一种烯,表现出由中断的角形构造造成的松散的结构.
- 使用两种较少的烯的BTPO-l采用了紧的二维结构,具有近线性构造,二元包装和短的π-π堆叠 (3.30 Å).
- 与BTPO-c (1.9cm2V-1s-1) 和BTPO-z (0.6cm2V-1s-1) 相比,BTPO-l显示出显著更高的电子流动性 (3.5cm2V-1s-1),比BTPO-c (1.9cm2V-1s-1) 和BTPO-z (0.6cm2V-1s-1).
结论:
- 整合工程是一种有效的策略,用于调整缺电子异构体的单晶结构.
- 一个紧的二维制晶体结构,通过准线性构造实现,促进优越的电子流动性.
- 这项工作为设计高性能有机电子材料提供了一种新方法.
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