极化子对复合过程中的无序效应研究  

Effects of Intrachain Disorder on the Recombination Process of Polaron-pair in Conjugated Polymers

作　　者：赵红霞[1] 赵晖[1] 陈宇光[1] 

机构地区：[1]同济大学物理科学与工程学院,上海200092

出　　处：《南昌航空大学学报（自然科学版）》2015年第4期19-24,共6页Journal of Nanchang Hangkong University(Natural Sciences)

基　　金：国家自然科学基金(11474218)

摘　　要：应用包含了链内无序和外加电场的Su-Schriffer-Heeger(SSH)模型,本文研究了聚合物链上正负极化子对的复合过程中的无序效应。应用非绝热近似方法处理电子部分的含时薛定谔方程,而晶格部分的运动则由牛顿方程决定。研究表明:在纯净的聚合物链中,正负极化子对仅能够在较弱的外电场下复合成中性激子;而考虑了无序效应后,激子可以在一个更大的电场强度范围下生成,亦即无序效应有利于极化子对的复合。By using a nonadiabatic evolution method for the time-dependent Schrdinger equation and a Newtonian equation of motion for lattice,we investigate the disorder effects on the recombination process of oppositely charged polarons in a single polymer chain. The simulations are performed within the framework of an extended version of the Su-Schrieffer-Heeger model modified to include diagonal disorder and an external electric field. It is found that oppositely charged polarons can recombine into a neutral exciton in the presence of a weak electric field. But under the disordered system,the exciton can be produced under a wide range of applied electric field.

关 键 词：共轭聚合物 激子 极化子 无序 

分 类 号：O346.1[理学—固体力学]