title: The charge mobilities in fused ring Oligothiophenes and their derivatives: influence of molecular structures.
abstract: Fused ring oligothiophenes and their derivatives, as active organic semiconductors, are widely used in electronic devices. The influence of molecular conjunction length on reorganization energy, electronic coupling and charge mobility of two fused ring oligothiophenes are investigated theoretically. The charge mobility of 2, 5-di(thiophen-2-yl)thieno [3, 2-b]thiophene (T-T(2)-T) with longer molecular conjunction length is 0.226 cm(2)V(-1)s(-1), which is nearly 3 times larger than that of 2, 2-bithieno[3, 2-b]thiophene (T(2)-T(2)) as 0.085 cm(2)V(-1)s(-1). The investigation will provide a new perspective to design high mobility organic semiconductors.
authors.affiliation: School of Physics, Shandong University, Jinan, 250100, China.|State Key Lab of Molecular Reaction Dynamics and Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.
authors.forename: Yujuan
authors.initials: Y
authors.lastname: Liu
authors.affiliation: School of Physics, Shandong University, Jinan, 250100, China.
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Liu
authors.affiliation: State Key Lab of Molecular Reaction Dynamics and Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.|School of Physics and Materials Engineering, Dalian Nationalities University, Dalian, 116600, China.
authors.forename: Jindou
authors.initials: J
authors.lastname: Huang
authors.affiliation: State Key Lab of Molecular Reaction Dynamics and Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.
authors.forename: Jianyong
authors.initials: J
authors.lastname: Liu
authors.affiliation: School of Physics, Shandong University, Jinan, 250100, China.
authors.forename: Shijie
authors.initials: S
authors.lastname: Xie
authors.affiliation: School of Physics, Shandong University, Jinan, 250100, China. yzheng@sdu.edu.cn.
authors.forename: Yujun
authors.initials: Y
authors.lastname: Zheng
mesh_terms: D008958:Models, Molecular; D015394:Molecular Structure; D012666:Semiconductors; D013876:Thiophenes / Q000737:chemistry*
chemical_list: D013876:Thiophenes
keywords: Charge-transfer mobility; Molecular Structures; Oligothiophenes