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Charge transport behaviors of a novel 2:1 charge transfer complex based on coronene and HAT(CN)_6

机译:基于二甲苯和HAT(CN)_6的新型2:1电荷转移配合物的电荷传输行为

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摘要

A novel charge transfer complex based on D_(6h)-symmetric coronene and D_(3h)-symmetric 1,4,5,8,9,12-hexaazatri-phenylene-hexacarbonitrile (HAT(CN)_6) with 2:1 stoichiometry has been prepared by cosublimation method. We have conducted the measurement of charge transfer and charge transport properties as well as the theoretical calculation. The optical spectra indicate coronene-HAT(CN)_6 a charge transfer complex in neutral state. This complex demonstrates typical features of a p-type organic semiconductor and the highest hole field-effect mobility is calculated to be 5.6 × 10~(-3) cm~2 v~(-1) s~(-1). Combined with the electronic band structure and inter-molecular electronic coupling obtained from corresponding calculation, this research provides assistance in investigating structure-performance relationship and suggests a guideline for developing high-performance binary composed materials.
机译:基于D_(6h)对称的ron烯和D_(3h)对称的1,4,5,8,9,12-六氮杂三苯撑-六甲腈(HAT(CN)_6)的化学计量比为2的新型电荷转移络合物通过共升华法制备。我们已经进行了电荷转移和电荷传输性质的测量以及理论计算。光谱表明冠冕烯-HAT(CN)_6是中性态的电荷转移络合物。该配合物表现出p型有机半导体的典型特征,最高的空穴场效应迁移率经计算为5.6×10〜(-3)cm〜2 v〜(-1)s〜(-1)。结合相应的计算得到的电子能带结构和分子间电子耦合,本研究为研究结构-性能关系提供了帮助,并为开发高性能二元复合材料提供了指导。

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