共轭高聚物链中极化子生成的掺杂效应

在紧束缚近似下，用绝热动力学演化的方法研究了共轭高聚物链中低浓度掺杂对极化子生成位置的影响。研究发现，掺入杂质与注入电子的先后次序不同，极化子生成的位置会有很大差别，先注入电子后掺入杂质的情况下，在链端自由区与过渡区，极化子生成位置受杂质影响较小；而先杂质后电子的次序下，极化子的生成位置明显受到杂质的控制。该研究表明共轭高聚物链中极化子的生成位置可通过调节掺杂与电荷注入的次序加以控制，从而可达到间接改变载流子迁移率的目的。

Doping effect on polaron formation in a conjugated polymer chain

Within a tight binding model combined with an adiabatic dynamical evolution method, we studied the light doping effect upon polaron formation position in a conjugated polymer chain. It is found that the difference in the occurring sequence of the impurity potential and the additive electron can give rise to quite different result for polaron formation when the dopant distributes in the two transition regions between the chain ends and the chain center. In the case that the electron is injected ahead of the impurity doping, the formed polaron receives little influence from the impurity. However in the case that the impurity doping occurs prior to the additive electron, the polaron formation position is significantly controlled by the impurity.The results of this work suggest that polaron formation position can be controlled by changing the occurring sequence of the additive electron and the impurity doping. Thus, it might lead to an indirect way to alter carrier mobility in conjugated polymers.