无定形聚合物中的激子输运以及形态和热效应的作用
Exciton transport in amorphous polymers and the role of morphology and thermalisation
摘要：
了解共轭聚合物中电子激发的传输机制是推进有机光电应用的关键，如太阳能电池，OLED和柔性电子。虽然结晶聚合物可以使用基于晶格周期性的固态技术进行研究，但无定形聚合物的表征受到无序的中间状态和相关的对称性缺乏的阻碍。为了克服这些障碍，我们使用一个简化的状态量子主方程方法的基础上的Merrifield激子形式主义。利用这个模型，我们研究了共轭聚合物中的激子输运及其对形态和温度的依赖性。激子动力学由热化过程组成，其特征取决于热能、电子耦合和无序的相对强度，从而导致显著不同的输运机制。通过应用这种方法的代表性系统的基础上，聚（对苯撑乙烯）（PPV），我们获得洞察的作用温度和无序的本地化，电荷分离，非平衡动力学，和实验的可及性的热平衡状态的激子在无定形聚合物。
英文摘要：
Understanding the transport mechanism of electronic excitations in conjugated polymers is key to advancing organic optoelectronic applications, such as solar cells, OLEDs and flexible electronics. While crystalline polymers can be studied using solid-state techniques based on lattice periodicity, the characterisation of amorphous polymers is hindered by an intermediate regime of disorder and the associated lack of symmetries. To overcome these hurdles we use a reduced state quantum master equation approach based on the Merrifield exciton formalism. Using this model we study exciton transport in conjugated polymers and its dependence on morphology and temperature. Exciton dynamics consists of a thermalisation process, whose features depend on the relative strength of thermal energy, electronic couplings and disorder, resulting in remarkably different transport regimes. By applying this method to representative systems based on poly(p-phenylene vinylene) (PPV) we obtain insight into the role of temperature and disorder on localisation, charge separation, non-equilibrium dynamics, and experimental accessibility of thermal equilibrium states of excitons in amorphous polymers.
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