赵红霞, 赵晖, 陈宇光. 极化子对复合过程中的无序效应研究[J]. 南昌航空大学学报(自然科学版), 2015, 29(4): 19-24. DOI: 10.3969/j.issn.1001-4926.2015.04.004
引用本文: 赵红霞, 赵晖, 陈宇光. 极化子对复合过程中的无序效应研究[J]. 南昌航空大学学报(自然科学版), 2015, 29(4): 19-24. DOI: 10.3969/j.issn.1001-4926.2015.04.004
ZHAO Hong-xia, ZHAO Hui, CHEN Yu-guang. Effects of Intrachain Disorder on the Recombination Process of Polaron-pair in Conjugated Polymers[J]. Journal of nanchang hangkong university(Natural science edition), 2015, 29(4): 19-24. DOI: 10.3969/j.issn.1001-4926.2015.04.004
Citation: ZHAO Hong-xia, ZHAO Hui, CHEN Yu-guang. Effects of Intrachain Disorder on the Recombination Process of Polaron-pair in Conjugated Polymers[J]. Journal of nanchang hangkong university(Natural science edition), 2015, 29(4): 19-24. DOI: 10.3969/j.issn.1001-4926.2015.04.004

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

  • 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。

     

    Abstract: 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.

     

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