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

作　　者：Bo Hu Chan Yao Qing Wei Wang Xu Ri Huang 

机构地区：[1]Faculty of Chemistry, Jilin Normal University, Siping 136000, China [2]Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Jilin Normal University, Ministry of Education, Siping 136000, China [3]State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China

出　　处：《Chinese Chemical Letters》2011年第11期1383-1386,共4页中国化学快报（英文版）

基　　金：supports from the Education Office of Jilin Province(No2010142);Institute Foundation of Siping City(No2010009) are gratefully acknowledged

摘　　要：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.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.

关 键 词：DIPHENYLAMINE 2 1 3-Benzothiadiazole Electronic and optical properties Reorganization energy 

分 类 号：O562.5[理学—原子与分子物理] TN929.11[理学—物理]