Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials

Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials
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电致发光材料中外围载流子传输基团与中心发色团之间的电子和能量转移的理论研究

DOI:
10.1002/cjoc.201200647
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发表时间:
2012-10
影响因子:
5.4
通讯作者:
Ma Yuguang
Ma Yuguang
中科院分区:
化学2区
文献类型:
--
作者:
Pan Yuyu;Liu D;an;Xu Hai;Liu Xiaodong;Sun Guannan;Yang Bing;Ma Yuguang

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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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