Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials |
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| Authors: | Yuyu Pan Dandan Liu Hai Xu Xiaodong Liu Guannan Sun Bing Yang Yuguang Ma |
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| Affiliation: | 1. State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin 130012, China;2. College of Chemistry, Jilin University, Changchun, Jilin 130012, China |
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| Abstract: | 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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| Keywords: | fluorene derivative carbazole side‐chain functionality organic light‐emitting diodes (OLEDs) density functional theory (DFT) |
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