All-polymer solar cells gained substantial achievements in recent years, offering numerous unsettled subjects for mechanical researchers. Based on the Su-Schrieffer-Heeger model, we then simulate the ultrafast dynamics of charge-transfer (CT) state considering a molecular electrostatic potential drop at the interface between two polymer chains, which are respectively regarded as donor and acceptor in all-polymer solar cells. The formation of a stable CT state is found to be sensitive to the distance between two oppositely charged polarons and the relevant critical electrostatic potential is thus quantified. In order to get insight into the dependence of dissociation of CT state on the width of interfacial layer, two quantities are calculated: One is the Coulomb capture radius between two polarons and the other is the quantum trace distance which serves as the fingerprint of the quantum coherence between them. The dissociation of CT state is found to take place within an ultrafast timescale for an optimum interfacial width. The classical spatial distance and the quantum trace distance manifest converging trend suggesting a decoherence scenario for the charge separation in all-polymer solar cells.

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We investigate the localization in a one-dimensional modi ed Peierls model with a non-adiabatic dynamic method. Different from the polaron scenario, here the localization stems from extensive conserved local quantities in the disorder-free lattice. Both the entanglement entropy and out-of-time-ordered correlator (OTOC) show the oscillating feature of dynamically generated localization. Although the strong interaction between electrons may suppress the dynamical features of the localization, but the effect of many-body localization is not observed. The role of disorder presented at nite temperature is discussed as well. The electrons diffuse in a classical manner. Bene tting from the indication of OTOC, it is found that the Anderson localization becomes dominant instead of dynamic localization as observed in disorder-free lattices.

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