Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application

	Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application
	Li, Wenqiang 1; Zhu, Lili 1; Shi, Qiang 2; Ren, Jiajun 1; Peng, Qian 2; Shuai, Zhigang 1
刊名	CHEMICAL PHYSICS LETTERS
	2017-09-01
卷号	683 页码:507-514
关键词	Organic Molecular Aggregates Nonradiative Decay Rate Excitonic Coupling Vibronic Coupling Thermal Vibration Correlation Function
英文摘要	We present here an analytical thermal vibration correlation function formalism to calculate the nonradiative decay rate constant (k(nr)) considering excitonic coupling effect (ECE) for molecular aggregates based on split-operator approximation. Combining with first-principles calculations, we found that k(nr) is enhanced by ECE for both H- and J-aggregates. In addition, ECE is found to be minor for the AIEgens (aggregation-induced emission luminogens). (C) 2017 Elsevier B.V. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/39087]
专题	化学研究所_有机固体实验室
作者单位	1.Tsinghua Univ, Dept Chem, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Li, Wenqiang,Zhu, Lili,Shi, Qiang,et al. Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application[J]. CHEMICAL PHYSICS LETTERS,2017,683:507-514.
APA	Li, Wenqiang,Zhu, Lili,Shi, Qiang,Ren, Jiajun,Peng, Qian,&Shuai, Zhigang.(2017).Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application.CHEMICAL PHYSICS LETTERS,683,507-514.
MLA	Li, Wenqiang,et al."Excitonic coupling effect on the nonradiative decay rate in molecular aggregates: Formalism and application".CHEMICAL PHYSICS LETTERS 683(2017):507-514.