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首页> 外文期刊>Optical Materials >Hole-transporting materials based on diarylfluorene compounds containing different substituents: DFT simulation, spectroscopic characterization and applications in organic light emitting diodes
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Hole-transporting materials based on diarylfluorene compounds containing different substituents: DFT simulation, spectroscopic characterization and applications in organic light emitting diodes

机译：基于含有不同取代基的二芳基硼化合物的空穴传输材料：DFT模拟，光谱表征和有机发光二极管中的应用

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摘要

Three diarylfluorene derivatives with phenyl, biphenyl, and naphthyl fragments were synthesized and characterized as electroactive materials of high thermal stability, which can form amorphous layers with glass transition temperatures of 31-74 degrees C. Systematic analysis of diarylfluorene compounds in the framework of the molecular charge redistribution processes according to quantum chemistry simulations allows concluding that a partially broken n-conjugated system of the core is related to the rotation motion of substituents which effectively modified the n-conjugated properties of fluorene core. The low-molar-mass derivatives, previously tested as hole transporting (HT) materials, were used in bilayer electroluminescent organic light emitting diodes with Alq(3) as the emitter. The device with the HT layer of 2,7-di(1-naphthyl)-9,9-diethylfluorene exhibited the best overall performance as turn-on voltage of 4.6 V; maximum photometric efficiency of 2.8 cd A(-1); maximum brightness about 7760 cd m(- 2).
机译：合成三种二芳基芴衍生物，其具有高热稳定性的电活性材料，可形成具有31-74摄氏度的玻璃化转变温度的无定形层。分子框架中的二芳基芴化合物的系统分析根据量子化学模拟的电荷再分配过程允许得出结论，核心的部分破碎的N-共轭系统与取代基的旋转运动有关，其有效地改变了芴核的n缀合性质。以前测试为空穴传输（HT）材料的低摩尔质量衍生物用于双层电致发光有机发光二极管，用Alq（3）作为发射器。具有2,7-DI（1-萘基）-9,9-二乙基氟烯的HT层的装置表现出最佳总体性能，作为4.6V的开启电压;最大光度效率为2.8℃（-1）;最大亮度约7760cd m（ - 2）。

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