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Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials
Author(s) -
Pan Yuyu,
Liu Dandan,
Xu Hai,
Liu Xiaodong,
Sun Guannan,
Yang Bing,
Ma Yuguang
Publication year - 2012
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201200647
Subject(s) - electroluminescence , chromophore , chemistry , carbazole , fluorene , density functional theory , oled , photochemistry , luminescence , core (optical fiber) , diode , optoelectronics , computational chemistry , polymer , organic chemistry , materials science , layer (electronics) , composite material
The molecular materials with structures of luminescent core and peripheral carrier groups ( e.g. carbazoles), have exhibited high‐performance in organic light‐emitting diodes (OLEDs). Present work is to understand the basic process of electronic and energy exchange between the peripheral functional groups and the central core through quantum chemical analysis. As an example, 4,7‐bis(9,9‐bis(6‐(9 H ‐carbazol‐9‐yl)hexyl)‐9 H ‐fluoren‐2‐yl)benzo[ c ]‐[1,2,5]thiadiazole (TCBzC) is investigated in regards to optoelectronic properties using density functional theory (DFT). The results suggest that the forbidden transition from peripheral carbazole to the central chromophore core makes for separated electrical and optical properties, and high performance electroluminescence (EL) is mainly attributed to the energy‐transfer from carbazoles to the fluorene derivative core