The effect of intermolecular interactions on the charge transport properties of thiazole/thiophene-based oligomers with trifluoromethylphenyl

被引：4
|
作者：
Liu, Ling [1 ]
Yang, Guochun [1 ]
Tang, Xiaodan [1 ]
Geng, Yun [1 ]
Wu, Yong [1 ]
Su, Zhongmin [1 ]
机构：
[1] NE Normal Univ, Fac Chem, Inst Funct Mat Chem, Changchun 130024, Jilin, Peoples R China
来源：
JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2014年 / 51卷
基金：
中国国家自然科学基金;
关键词：
Thiazole; Thiophene; Charge transport; Intermolecular interaction; Band model; FIELD-EFFECT TRANSISTORS; HIGH-ELECTRON-MOBILITY; AB-INITIO; OLIGOTHIOPHENES; SEMICONDUCTORS; HEXAFLUOROCYCLOPENTENE; PARAMETERS; STABILITY; CRYSTALS; IMPACT;
D O I：
10.1016/j.jmgm.2014.04.016
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
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 pi-pi 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 Gamma point wave functions. (C) 2014 Elsevier Inc. All rights reserved.
引用
收藏
页码：79 / 85
页数：7
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