Electroluminescence of halogen complexes with monovalent copper: OLED devices and DFT modeling; Russian Physics Journal; Vol. 58, iss. 9

Electroluminescence of halogen complexes with monovalent copper: OLED devices and DFT modeling; Russian Physics Journal; Vol. 58, iss. 9

Detalhes bibliográficos
Parent link:Russian Physics Journal.— , 1965-
Vol. 58, iss. 9.— 2016.— [P. 1205–1211]
Autor Corporativo: Национальный исследовательский Томский политехнический университет Институт физики высоких технологий Кафедра общей химии и химической технологии
Outros Autores: 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
Resumo: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
Idioma:inglês
Publicado em: 2016
Colecção:Optics and spectroscopy
Assuntos:
электронный ресурс
труды учёных ТПУ
электролюминесценция
одновалентная медь
OLED-устройства
моделирование
Acesso em linha:http://dx.doi.org/10.1007/s11182-016-0633-y
Formato: Recurso Electrónico Capítulo de Livro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=651221
Descrição
Resumo: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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