Citation: Bo Hu, Chan Yao, Qing Wei Wang, Xu Ri Huang. The effect of diphenylamine on the electronic, optical, and charge transport properties of BTD-based derivative:Insights from theory[J]. Chinese Chemical Letters, ;2011, 22(11): 1383-1386. doi: 10.1016/j.cclet.2011.04.017 shu

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

Bo Hu ^a,b, ,
Chan Yao ^a,b ,
Qing Wei Wang ^a,b ,
Xu Ri Huang ^c

a Faculty of Chemistry, Jilin Normal University, Siping 136000, China;
b Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Jilin Normal University, Ministry of Education, Siping 136000, China;
c State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China

Received Date: 19 January 2011

Fund Project: Financial supports from the Education Office of Jilin Province (No.2010142) and Institute Foundation of Siping City (No.2010009) are gratefully acknowledged.

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.
- Diphenylamine,
- 2,1,3-Benzothiadiazole,
- Electronic and optical properties,
- Reorganization energy
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