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 

作者机构：Faculty of Chemistry Jilin Normal University Siping 136000 China Key Laboratory of Preparation and Applications of Environmental Friendly Materials Jilin Normal University Ministry of Education Siping 136000 China State Key Laboratory of Theoretical and Computational Chemistry Jilin University Changchun 130023 China 

出 版 物：《Chinese Chemical Letters》 (中国化学快报（英文版）)

年 卷 期：2011年第22卷第11期

页      面：1383-1386页

核心收录：

学科分类：07[理学] 08[工学] 070203[理学-原子与分子物理] 0803[工学-光学工程] 0702[理学-物理学] 

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

主　　题：Diphenylamine 2 1 3-Benzothiadiazole Electronic and optical properties Reorganization energy 

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 *** 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.