【摘要】 原子掺杂是目前提高有机发光二极管发光效率的有效方法之一.杂质原子的存在，一方面改变了体系的自旋-轨道耦合强度，另一方面引入了杂质势.从这两方面出发，基于扩展的Su-Schrieffer-Heeger模型，研究了有机聚合物中掺杂原子的存在对单重态激子产率的影响.结果发现，通过掺杂原子可以有效地提高单重态激子产率.主要原因源于掺杂原子所诱导的较大自旋-轨道耦合强度，而非杂质势的引入.澄清了利用原子掺杂提高有机发光二极管发光效率的机理，并为相关实验的材料选取和设计提供了理论指导.更多还原

【Abstract】 Atom-doping is an effective method to improve the efficiency of organic light emitting diodes(OLEDs).The doped atom can change the spin-orbit coupling(SOC) strength of the system and introduce the impurity potential.Based on the extended Su-Schrieffer-Heeger model, the influence of doped atoms in organic polymers on the singlet exciton yield is studied.It is found that the singlet exciton yield is improved by atomic doping.The reason is attributed to the large SOC strength, rather than the impurity potential induced by doped atoms.This work not only clarifies the mechanism of improving the luminous efficiency of OLEDs by atomic doping, but also provides theoretical guidance for material selection and molecular design of related experiments.更多还原