Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials
Yuyu Pan
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorDandan Liu
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorHai Xu
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorXiaodong Liu
College of Chemistry, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorGuannan Sun
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorCorresponding Author
Bing Yang
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China, Tel.: 0086-0431-85168480; Fax: 0086-0431-85193421Search for more papers by this authorCorresponding Author
Yuguang Ma
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China, Tel.: 0086-0431-85168480; Fax: 0086-0431-85193421Search for more papers by this authorYuyu Pan
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorDandan Liu
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorHai Xu
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorXiaodong Liu
College of Chemistry, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorGuannan Sun
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
Search for more papers by this authorCorresponding Author
Bing Yang
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China, Tel.: 0086-0431-85168480; Fax: 0086-0431-85193421Search for more papers by this authorCorresponding Author
Yuguang Ma
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China, Tel.: 0086-0431-85168480; Fax: 0086-0431-85193421Search for more papers by this authorAbstract
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-(9H-carbazol-9-yl)hexyl)-9H-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
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