In
this work, the one- (OPA) and two-photon absorption (TPA) and
transition characteristics of the porphyrin and fullerene donor–acceptor
systems linked by thiophene oligomers are investigated theoretically.
In the study of the transition characteristics of OPA and TPA, a combination
of 2D and 3D visualization methods is used. During the OPA and TPA
transitions of this D–A system, there is both superexchange
charge transfer without thiophene oligomers and sequential charge
transfer through thiophene oligomers. On this basis, there exist also
charge recombination TPA excitations of the previous two kinds of
charge transfer into an intrinsic process. The degree of polymerization
of the thiophene oligomer significantly affects the efficiency of
superexchange charge transfer and participates in excitation in units
of quarter-thiophene. Finally, a method to enhance the charge transfer
efficiency during TPA excitation is proposed, which is local excitation
enhanced charge transfer excitation.