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首页> 外文期刊>The Journal of Chemical Physics >Bipolaron recombination in conjugated polymers
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Bipolaron recombination in conjugated polymers

机译:共轭聚合物中的双极化子重组

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摘要

By using the Su-Schrieffer-Heeger model modified to include electron-electron interactions, the Brazovskii-Kirova symmetry breaking term and an external electric field, we investigate the scattering process between a negative and a positive bipolaron in a system composed of two coupled polymer chains. Our results show that the Coulomb interactions do not favor the bipolaron recombination. In the region of weak Coulomb interactions, the two bipolarons recombine into a localized excited state, while in the region of strong Coulomb interactions they can not recombine. Our calculations show that there are mainly four channels for the bipolaron recombination reaction: (1) forming a biexciton, (2) forming an excited negative polaron and a free hole, (3) forming an excited positive polaron and a free electron, (4) forming an exciton, a free electron, and a free hole. The yields for the four channels are also calculated.
机译:通过使用Su-Schrieffer-Heeger模型进行修改,使其包含电子-电子相互作用,Brazovskii-Kirova对称破坏项和外部电场,我们研究了由两个偶联聚合物组成的系统中负双极性子与正双极性子之间的散射过程链。我们的结果表明,库仑相互作用不利于双极子重组。在弱库仑相互作用的区域中,两个双极子重组为局部激发态,而在强库仑相互作用的区域中,它们不能重组。我们的计算表明,双极子重组反应主要有四个通道:(1)形成双激子;(2)形成激发的负极化子和自由空穴;(3)形成激发的正极化子和自由电子;(4 )形成激子,自由电子和自由空穴。还计算了四个通道的产量。

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