DFT study of the intrinsic electronic, optical, NBO, transport, and thermodynamic properties of 12,12-dimethyl-7-phenyl-7,12-dihydrobenzo[a]acridine-3-carbonitrile (BACN)

Autor: Bissi Nyandou, P.F., Noudem, P., Mveme, C.D.D., Fouejio, D., Zekeng, S.S.
Zdroj: Chinese Journal of Physics; June 2024, Vol. 89 Issue: 1 p1862-1882, 21p
Abstrakt: •BACN is thermodynamically and chemically stable.•BACN is a good organic semiconductor and has excellent hole transport properties.•BACN exhibits good optoelectronic and nonlinear optical properties.•BACN is fluorescent, it can improve colour purity of OLED and be used as an emitter.
Databáze: Supplemental Index
Externí odkaz: