Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments

Abstract

Electronic dynamics of Donor–Bridge–Acceptor system with a bridge impurity incorporated in dissipative environments is studied taking advantage of the quasi-adiabatic propagator path integral approach in this article. An impurity site is introduced in the center of bridge chain of the system. The numerical calculations indicate the electron transfer rates of the system are changed when the energy gap between the center site (impurity site) and other bridge sites increased from −2.5 to 2.5 eV, the relaxation rates decrease and the dephasing rates increase as the energy gap increases, respectively under the same environment factors (e.g. temperature and system–environment coupling). However, the electron transfer mechanism of the system is hardly affected when the bridge impurity energy is increased in the range of ±21% relative to the other bridge energy, and the occupation populations of bridge chain are not more than 10%, which means the superexchange mechanism also works well within the context of this study.