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

• Published in: Chinese chemical letters Vol. 22; no. 11; pp. 1383 - 1386
• Main Authors: Hu, Bo, Yao, Chan, Wang, Qing Wei, Huang, Xu Ri
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.11.2011; 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; Faculty of Chemistry, Jilin Normal University, Siping 136000, China
• Subjects: 2,1,3-Benzothiadiazole; Diphenylamine; Electronic and optical properties; Reorganization energy; 二苯胺; 传输性能; 光学; 基础; 有机发光二极管; 电子; 电荷; 衍生; 2,1,3-Benzothiadiazole; Reorganization energy; Diphenylamine; Electronic and optical properties
• ISSN: 1001-8417; 1878-5964
• DOI: 10.1016/j.cclet.2011.04.017

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.