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Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors.
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2020-09-08 , DOI: 10.1021/acs.jpclett.0c02569
Jiadong Zhou 1 , Xinbo Wen 1 , Ningning Tang 1 , Xuehong Zhou 1 , Cong Wang 1 , Nan Zheng 1 , Linlin Liu 1 , Zengqi Xie 1
Affiliation  

The exciton migration mechanism in organic photovoltaic devices is still an ambiguity owing to the insufficient understanding of molecular arrangement on a microscopic scale. Herein, we reveal the relationship between the molecular stacking modes and exciton migration for a representative fused-ring electron acceptor, namely, ITIC. The precise molecular stacking patterns are extracted, and directional Coulombic couplings are calculated based on the information of a single-crystal structure, which proves the anisotropic character for exciton motion. The theoretical analysis results indicate ultrafast exciton migration along the head-to-tail stacking directions with maximum migration length of 330 nm in the finite lifetime of 1 ns. Experimentally, the exciton diffusion length is determined to be 183 nm by exciton–exciton annihilation measurement. This work reveals head-to-tail type intermolecular stacking induces strong anisotropic Coulombic coupling, leading to the ultrafast and long-range exciton migration in nonfullerene systems.

中文翻译:

超快速和远距离激子迁移通过各向异性环库仑耦合在带环电子受体的质感膜中。

由于对微观尺度上分子排列的了解不足,有机光伏器件中的激子迁移机理仍然是模棱两可的。在这里,我们揭示了分子堆积模式与激子迁移之间的关系的代表的稠环电子受体,即ITIC。提取精确的分子堆积模式,并基于单晶结构的信息计算定向库仑耦合,证明了激子运动的各向异性。理论分析结果表明,激子沿头到尾堆叠方向的超快迁移在1 ns的有限寿命内具有330 nm的最大迁移长度。实验中,通过激子-激子an灭测量确定激子扩散长度为183 nm。
更新日期:2020-09-18
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