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

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.