有机聚合物中场诱导激子解体的动力学过程  

Dynamic Evolution of Field-induced Dissociation of Excitons in Organic Polymers

作　　者：孟艳[1] 王亚东[2] 梁丽娟[1] 封素芹[1] 王建勇[1] 

机构地区：[1]邢台学院物理系,河北邢台054001 [2]张家口职业技术学院基础部,河北张家口075000

出　　处：《河北北方学院学报（自然科学版）》2012年第3期12-15,F0003,共5页Journal of Hebei North University:Natural Science Edition

基　　金：邢台市青年科技人才资助计划(2011ZZ052-1)

摘　　要：目的通过理论计算及其结果分析,对影响有机太阳能电池光电转换效率的主要因素提供有价值的理论线索。方法基于包含链间相互作用的扩展的Su-Schrieffer-Heeger(SSH)模型,利用非绝热分子动力学方法,研究了两条耦合的有机共轭聚合物链中场诱导链间极化子激子的动力学演化过程。结果当电场达到临界值,链间极化子激子将克服链间相互作用而形成自由的带电极化子。结论由于链间极化子比链内极化子激子更容易被电场解体,从而有利于荷电载流子的生成。Objective To provide valuable theoretical clues for the main factors affecting the photoelec- tric conversion efficiency in organic solar cells with theoretical calculation and result analysis. Methods Within an extended Su-Schrieffer-Heeger model including interchain interactions, the dynamic euolution of the interchain polaron-exciton dissociation induced by an external electric field was investigated by using a nonadiabatic molecular dynamics. Results With critical electric field, the interchain polaron-exciton will be dissociated into free charged polarons, by overcoming interchain interaction. Conclusion The process that interchain polaron-exciton is dissociated by electronic field is easier than that of intrachain polaron-ex- citon. So the charged carriers are generated easily.

关 键 词：共轭聚合物 非绝热动力学 链间耦合 链间极化子激子 

分 类 号：O472.4[理学—半导体物理]