论文部分内容阅读
We theoretically investigate a new type of exciton transport induced by interchain packing configuration in conjugated polymers by a tight binding model with a nonadiabatic dynamics,as well as its influencing factors.As two linearly (or exponentially) coupled chains are constructed,exciton delocalized on them is found to transport along one chain from the region with long interchain distance to that with short interchain distance due to the landslide of exciton creation energy with the gradually increasing interchain coupling.In this case,the magnitude of creation energy gradient determines whether exciton can start to transport and how the exciton transport rate is.Furthermore,we found that a stronger exciton delocalization,caused by high occupation state or weak electron-phonon coupling,can make exciton transport faster.Additionally,some bond defects,actually existing in materials,can disturb this kind of intrachain transport or even make exciton interchain hopping when it lays on the assistant chain.All the above behaviours of exciton are attribute to the lowest energy principle.Our findings enrich the picture of exciton transport in polymers and hope to provide theoretical basis for microstructure design of photovoltaic device to optimize the photovoltaic efficiency.