TY  - SER
AU  - Valiev,Rashid R.
AU  - Gadirov,Ruslan M.
AU  - Nikonova,Elena N.
AU  - Solodova,Tatyana A.
AU  - Nikonov,Sergej Yu
AU  - Bushuev,Mark B.
AU  - Kopylova,Tatyana N.
AU  - Minaev,Boris F.
TI  - Electroluminescence of halogen complexes with monovalent copper: oled devices and DFT modeling
KW  - электролюминесценция
KW  - одновалентная медь
KW  - DFT-моделирование
KW  - B3LYP
KW  - ОСИД
KW  - статьи в журналах
N1  - Библиогр.: 26 назв
N2  - Spectroscopic characteristics of complexes of Cu[I] ion with halogens synthesized by the TDDFT/CAM-B3LYP method are studied. It is shown that S0 → S1 and S0 → T1 electronic transitions are excitations with charge transfer. In this case, the electronic transitions proceed from the HOMO, HOMO-1 and HOMO-2 localized on halogen atoms to the LUMO localized on a ligand. The matrix elements of spin-orbit interaction are calculated using the single-electron operator (HSO). Based on these compounds, the organic light emitting diodes have been created. Their current–voltage and current-brightness characteristics are investigated
UR  - http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000554057
ER  -