文献类型：期刊文献

中文题名：Effect of disorder on exciton dissociation in conjugated polymers

英文题名：Effect of disorder on exciton dissociation in conjugated polymers

作者：Feng, Yuwen[1];Zhao, Hui[1];Chen, Yuguang[1];Yan, Yonghong[2]

机构：[1]Tongji Univ, Dept Phys, Shanghai 200092, Peoples R China;[2]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China

年份：2017

卷号：26

期号：10

中文期刊名：中国物理B：英文版

外文期刊名：CHINESE PHYSICS B

收录：SCI-EXPANDED(收录号：WOS:000412424100003)、CSTPCD、、EI(收录号：20174204274183)、Scopus(收录号：2-s2.0-85030988666)、WOS、CSCD2017_2018、CSCD

基金：Project supported by the National Natural Science Foundation of China (Grant Nos. 11474218 and 11575116).

语种：英文

中文关键词：共轭聚合物;解离过程;激子;无序;电子相互作用;运动方程;聚合物链;解电场

外文关键词：polymer; exciton; electron-electron correlation; dynamical evolution

中文摘要：By using a multi-configurational time-dependent Hartree–Fock(MCTDHF) method for the time-dependent Schr ?dinger equation and a Newtonian equation of motion for lattice, we investigate the disorder effects on the dissociation process of excitons in conjugated polymer chains. The simulations are performed within the framework of an extended version of the Su–Schrieffer–Heeger model modified to include on-site disorder, off-diagonal, electron–electron interaction, and an external electric field. Our results show that Coulomb correlation effects play an important role in determining the exciton dissociation process. The electric field required to dissociate an exciton can practically impossibly occur in a pure polymer chain, especially in the case of triplet exciton. However, when the on-site disorder effects are taken into account, this leads to a reduction in mean dissociation electric fields. As the disorder strength increases, the dissociation field decreases effectively. On the contrary, the effects of off-diagonal disorder are negative in most cases. Moreover, the dependence of exciton dissociation on the conjugated length is also discussed.

外文摘要：By using a multi-configurational time-dependent Hartree-Fock (MCTDHF) method for the time-dependent Schrodinger equation and a Newtonian equation of motion for lattice, we investigate the disorder effects on the dissociation process of excitons in conjugated polymer chains. The simulations are performed within the framework of an extended version of the Su-Schrieffer-Heeger model modified to include on-site disorder, off-diagonal, electron-electron interaction, and an external electric field. Our results show that Coulomb correlation effects play an important role in determining the exciton dissociation process. The electric field required to dissociate an exciton can practically impossibly occur in a pure polymer chain, especially in the case of triplet exciton. However, when the on-site disorder effects are taken into account, this leads to a reduction in mean dissociation electric fields. As the disorder strength increases, the dissociation field decreases effectively. On the contrary, the effects of off-diagonal disorder are negative in most cases. Moreover, the dependence of exciton dissociation on the conjugated length is also discussed.