研究目的
Investigating the energy structure and the transfer of an extra electron or hole along periodic polymers made of N monomers, with a repetition unit made of P monomers, using a tight-binding wire model.
研究成果
The study concludes that homopolymers display the most efficient charge transfer and that the pure mean transfer rates can be increased by many orders of magnitude with appropriate sequence choice. The simple tight-binding wire model can grasp qualitatively the experimental behavior, although large variations of the tight-binding parameters are expected in real situations.
研究不足
The study is limited to theoretical calculations using a tight-binding wire model and does not account for environmental factors such as aqueousness, counterions, extraction process, electrodes, purity, substrate, and structural fluctuations that influence carrier motion in real situations.