Electroluminescence of halogen complexes with monovalent copper: OLED devices and DFT modeling

Electroluminescence of halogen complexes with monovalent copper: OLED devices and DFT modeling

Bibliographic Details
Parent link:Russian Physics Journal.— , 1965-
Vol. 58, iss. 9.— 2016.— [P. 1205–1211]
Corporate Author: Национальный исследовательский Томский политехнический университет Институт физики высоких технологий Кафедра общей химии и химической технологии
Other Authors: Valiev R. R. Rashid Rinatovich, Minaev B. F. Boris Filippovich, Gadirov R. M. Ruslan Mukhamedzhanovich, Nikonova E. N. Elena Nikolaevna, Solodova T. A. Tatjyana Aleksandrovna, Nikonov S. Y. Sergey Yurjevich, Bushuev M. B. Mark Borisovich, Kopylova T. N. Tatjyana Nikolaevna
Summary:Title screen
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.
Режим доступа: по договору с организацией-держателем ресурса
Published: 2016
Series:Optics and spectroscopy
Subjects:
электронный ресурс
труды учёных ТПУ
электролюминесценция
одновалентная медь
OLED-устройства
моделирование
Online Access:http://dx.doi.org/10.1007/s11182-016-0633-y
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=651221
Description
Summary:Title screen
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.
Режим доступа: по договору с организацией-держателем ресурса
DOI:10.1007/s11182-016-0633-y

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