Abstract

The dynamic recombination of an on-chain triplet exciton with an off-chain counterion trapped in an impurity molecule has been investigated using a molecular dynamics method. It has been found that luminous composite states including the trion and the singlet exciton are the main products in the triplet exciton-counterion reaction and their yields depend sensitively on the impurity potential and the coupling between the polymer chain and the impurity molecule. We demonstrate that the triplet exciton-counterion reaction can enhance the electroluminescence efficiency considerably, and that the triplet exciton plays an important role in the photoelectric process of polymer. Our results provide a new clue to understand the electroluminescence mechanism in the polymer light-emitting devices.

Graphical abstract

中文翻译：

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三重态激子与捕获的抗衡离子在共轭聚合物中的动态重组

摘要

使用分子动力学方法研究了链上三重态激子与杂质分子中捕获的链外抗衡离子的动态重组。已经发现，包括三重态和单重态激子的发光复合态是三重态激子-抗衡反应的主要产物，其产率敏感地取决于杂质电势以及聚合物链与杂质分子之间的偶联。我们证明三重态激子抗衡反应可以大大提高电致发光效率，并且三重态激子在聚合物的光电过程中起着重要的作用。我们的结果为理解聚合物发光器件中的电致发光机理提供了新的线索。

图形概要