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实验上测量载流子迁移率是研究有机材料传输特性的重要手段,影响有机电子材料载流子迁移率的两个主要因素是转移积分和重组能。苯并菲类盘状液晶分子通过分子间π-π电子云共轭形成的一维柱状相结构为载流子提供了理想传输通道,理论上具有高效载流子迁移率。通过几何结构优化来研究修饰苯并菲基元周边侧链。从重组能和转移积分两方面探究对2,3,6,7,10,11-六己烷氧基苯并菲衍生物类盘状液晶共轭核载流子迁移率的影响。研究结果表明：对于2,3,6,7,10,11-六己烷氧基苯并菲衍生物的载流子迁移率提高可以通过提高分子的有序性来实现。“,”Experiment on measurement of carrier mobility is an important method of investigation on the transfer characteristics of organic material, the two main factors influencing the carrier mobility of organic electronic materials are molecular transfer integral and reorganization energy. One-dimensional columnar phase structure formed by intermolecular π-π electronic cloud conjugation provides transfer channel for carriers in triphenylene-based discotic liquid crystal. The columns arrangement in order causes high charge mobility. This paper mainly investigates the modified triphenylen primitive peripheral side chain by optimizing the molecular geometricstructures. The carrier mobility of 2,3,6,7,10,11-Hexahexy-loxytriphenylen discotic liquid crystal and its conjugated nuclear derivatives can be explored from the intermolecular transfer integral and reorganization energy. The results indicate that the high mobility of organic crystal material put down to molecular ordering.