期刊文献+

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

The effect of diphenylamine on the electronic,optical,and charge transport properties of BTD-based derivative:Insights from theory
原文传递
导出
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.
出处 《Chinese Chemical Letters》 SCIE CAS CSCD 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
关键词 DIPHENYLAMINE 2 1 3-Benzothiadiazole Electronic and optical properties Reorganization energy Diphenylamine 2 1 3-Benzothiadiazole Electronic and optical properties Reorganization energy
  • 相关文献

参考文献18

  • 1K.R.J. Thomas, J.T. Lin, M. Velusamy, et al. Adv. Funct. Mater. 14 (2004) 83.
  • 2S.I. Kato, T. Matsumoto, M. Shigeiwa, et al. Chem. Eur. J. 12 (2006) 2303.
  • 3M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
  • 4B. Hu, J.E Zhang, Polymer 50 (2009) 6172.
  • 5B. Hu, J.E Zhang, Y. Chen, Eur. Polym. J. 47 (2011) 208.
  • 6C.C.J. Roothaan, Rev. Mod. Phys. 23 (1951) 69.
  • 7J.A. Pople, R.K. Nesbet, J. Chem. Phys. 22 (1954) 571.
  • 8R. McWeeny, G. Diercksen, J. Chem. Phys. 49 (1968) 4852.
  • 9R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, Oxford, 1989.
  • 10M. Ernzerhof, G.E. Scuseria, J, Chem. Phys. 110 (1999) 5029.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部