共轭聚合物中均匀无序对极化子输运动力学的影响∗

摘要

Within the framework of the Su-Schrieffer-Heeger model modified to include uniform disorder and an external electric field, the polaron transport process in conjugated polymer material is simulated using a nonadiabatic evolution method. It is found that the polaron dynamic mechanism is determined by both the electric field and the uniform disorder. The effect of uniform disorder is not obvious and almost negligible in most cases, except for the case of very weak electric field. Compared with the effects of Gaussian disorder, the film morphology with uniform disorder is conductible to the polaron transport.%基于扩展的Su-Schrieffer-Heeger紧束缚模型和非绝热动力学方法，研究了共轭聚合物材料中均匀无序效应对极化子输运动力学的影响。研究发现：极化子的动力学输运过程由外加电场和均匀无序效应共同决定；在大部分电场范围下，均匀无序效应对极化子输运的影响不太明显，几乎可以忽略；但在弱电场下，均匀无序效应不利于极化子输运。与高斯型无序效应下极化子的输运过程相比，具有均匀无序的薄膜形貌更有利于极化子输运。