The effect of diphenylamine on the electronic, optical, and charge transport properties of BTD-based derivative: Insights from theory

Theoretical investigations have been performed to explore the variation in electronic, optical, and charge transport properties upon the change of the chemical composition along the backbone in 2,1,3-benzothiadiazole (BTD)-based derivative. Narrow difference between hole and electron transportations with the charge hopping model indicates studied BTD-based derivative can be used as good ambipolar transport material in organic light-emitting diodes.