基于扩展的Su—Schrieffer-Heeger紧束缚模型,利用非绝热动力学方法研究了链内无序效应对共轭聚合物中极化子输运机制的影响.研究发现,极化子的输运由外加电场和链内无序效应共同作用的结果所决定.在一般情况下,链内无序效应不利于极化子的输运,但随着电场强度的增大,无序对极化子输运的影响减小.
Polaron transport process in conjugated polymer with intrachain disorder is simulated using a nonadiabatic evolution method. The simulations are performed within the framework of an extended version of the Su-Schrieffer-Heeger model modified to include intrachin disorder and an external electric field. It is found that the polaron transport mechanism is determined by both the electric field and the intrachain disorder. The effects of intrachin disorder are negative in most cases, but with the increase of the electric field, the influence of intrachin disorder on polaron transport decreases.