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Computational study of the presence of defects in semiconducting polymers on exciton formation

机译:激子形成中半导体聚合物中缺陷的存在的计算研究

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摘要

Although semiconducting polymers are very attractive to be used in optoelectronic devices due to their molecular structure, they are not pristine semiconductors. After deposition it is possible to find out several structural and chemical defects, with different origins, that strongly influence exciton dynamics since they create deep energetic sites, where excitons can migrate leading to their quenching or reducing exciton diffusion length. By using a self-consistent quantum molecular dynamics method we performed a computational study to understand the influence of well-known polymer defects on excitons dynamics. Our results show that these defects influences mainly intramolecular exciton localization and exciton energy.
机译:尽管半导体聚合物由于其分子结构而在光电器件中非常有吸引力,但它们并不是原始的半导体。沉积后,有可能发现一些具有不同起源的结构和化学缺陷,这些缺陷会强烈影响激子动力学,因为它们会形成深的高能位,激子可以在其中迁移,从而导致其淬灭或缩短激子扩散长度。通过使用自洽量子分子动力学方法,我们进行了计算研究,以了解众所周知的聚合物缺陷对激子动力学的影响。我们的结果表明,这些缺陷主要影响分子内的激子定位和激子能量。

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