Evaluation of the electron transport behavior in donor polymer through theoretical calculation (IMAGE)
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The extended Su–Schrieffer–Heeger (SSH) tight-binding model was employed to accurately elucidate the electron transport behavior in donor polymer. The time evolutions of net charges on each site shown that after applying the relatively low electric field, the effective charge carrier transport can be achieved in the case of D unit coupling with PS. The charge center position calculation specifically revealed that the average transport velocity for D unit coupling with PS clearly superior to no coupling case. It is consistent with the phenomena observed in the experiment that D-A type donor coupling with PS is favorite for the electron transport.
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