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Effect of electron-electron interaction on scattering process of oppositely charged polarons in conjugated polymers
Organic Electronics ( IF 2.7 ) Pub Date : 2017-12-29 , DOI: 10.1016/j.orgel.2017.12.046
Xiaoxue Li , Dong Hou , Gang Chen

By using one-dimensional tight-binding Su-Schrieffer-Heeger model modified to include electron-electric field interaction and electron-electron interaction, we simulate the scattering process of oppositely charged polarons with spin parallel and antiparallel, respectively. It is found that at weak field, the electron-electron interaction is dominant. Under the effect of strong Coulomb attraction, the polarons with spin antiparallel could not be separated after collision, and ultimately recombine into the singlet exciton. While in case of spin parallel, the strong Coulomb repulsion makes no collision occur unless strengthening the electric field. At moderate field, the electron-electron interaction could facilitate the recombination of polarons into triplet exciton rather than singlet. It is obtained that there exists competition between electron-electric field interaction and electron-electron interaction, a suitable strength of which could promote the formation of exciton in conjugated polymers.



中文翻译:

电子-电子相互作用对共轭聚合物中带相反电荷的极化子散射过程的影响

通过使用一维紧密结合的Su-Schrieffer-Heeger模型进行修改,使其包含电子-电场相互作用和电子-电子相互作用,我们分别模拟了带有自旋平行和反平行的带相反电荷的极化子的散射过程。发现在弱电场下,电子-电子相互作用占主导地位。在强烈的库仑吸引作用下,自旋反平行的极化子在碰撞后无法分离,最终重组为单重态激子。而在自旋平行的情况下,除非加强电场,否则强烈的库仑排斥力不会发生碰撞。在中等电场下,电子与电子的相互作用可以促进极化子重组为三重态激子而不是单重态。

更新日期:2017-12-29
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