Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1267820 | Organic Electronics | 2010 | 11 Pages |
Abstract
Density functional studies of vibronic coupling in a hole-transporting material in organic light-emitting diodes (OLED), carbazole, biphenyl and fluorene are reported as well as Hartree–Fock calculations. Vibronic coupling density (VCD) analysis reveals that strong localization of electron-density differences on the carbazole N atom is responsible for the small vibronic coupling constants (VCC) of carbazole. A heteroatom bridge such as an imino group is expected to enhance hole-transporting properties, and localized electron-density difference on the atom is expected to decrease vibronic coupling. The difference between the density functional and Hartree–Fock calculations are discussed.
Related Topics
Physical Sciences and Engineering
Chemistry
Chemistry (General)
Authors
Katsuyuki Shizu, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji,