Abstract
Construction of local donor-acceptor architecture is one of the valid means for facilitating the intramolecular charge transfer in organic semiconductors. To further accelerate the interface charge transfer, a ternary acceptor-donor-acceptor (A1 -D-A2 ) molecular junction is established via gradient nitrogen substituting into the polymer skeleton. Accordingly, the exciton splitting and interface charge transfer could be promptly liberated because of the strong attracting ability of the two different electron acceptors. Both DFT calculations and photoluminescence spectra elucidate the swift charge transfer at the donor-acceptor interface. Consequently, the optimum polymer, N3 -CP, undergoes a remarkable photocatalytic property in terms of hydrogen production with AQY405 nm =26.6 % by the rational design of asymmetric molecular junctions on organic semiconductors.
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