title: The effect of intermolecular interactions on the charge transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl.
abstract: A fundamental understanding of the relationship between intermolecular interactions and transport properties in organic semiconducting materials is significant for their potential applications as electronic device element. Carrier transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl groups 1, 2, and 3, in which the type and strength of the intermolecular interactions are different, were investigated within the framework of band model. The results show that π-π stacking interactions are mainly responsible for the hole transport, while hydrogen bonding interactions have a great influence on the electron transport. The specific transport mechanism could be explained by analyzing the density of states (DOS) and Γ point wave functions.
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China.
authors.forename: Ling
authors.initials: L
authors.lastname: Liu
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China. Electronic address: yanggc468@nenu.edu.cn.
authors.forename: Guochun
authors.initials: G
authors.lastname: Yang
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China.
authors.forename: Xiaodan
authors.initials: X
authors.lastname: Tang
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China.
authors.forename: Yun
authors.initials: Y
authors.lastname: Geng
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Wu
authors.affiliation: Faculty of Chemistry, Institute of Functional Material Chemistry, Northeast Normal University, Changchun, 130024 Jilin, PR China.
authors.forename: Zhongmin
authors.initials: Z
authors.lastname: Su
mesh_terms: D004735:Energy Transfer; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D011789:Quantum Theory; D013844:Thiazoles / Q000737:chemistry*; D013876:Thiophenes / Q000737:chemistry*
chemical_list: D006845:Hydrocarbons, Fluorinated; D013844:Thiazoles; D013876:Thiophenes
keywords: Band model; Charge transport; Intermolecular interaction; Thiazole; Thiophene