Fluorescence Dynamics And Dipole Moment Evolution Of Singlet Exciton Decay In Conjugated Polymers

The traditional first-principles and molecular dynamics only can describe the static properties. The new theoretical model not only can depict the transition process of the carriers, but also present the evolution of lattice configuration, the fluorescence intensity decay and electric dipole moment, etc., which provides the basis to investigate the dynamic process of organic light-emittingThe main contribution to emitting is electron hole pairs, whose transition rate directly affects the efficiency of organic light-emitting materials in the one-dimensional linear organic light-emitting materials. The experiments show that fluorescence intensity is nearly exponential decline while fluorescence decay rate is rapidly decreasing. Considering the inter-chain coupling, the dynamical fluorescence spectrum is not determined by the electron transition between chains, but electric dipole moment. In conjugated polymer, the inter-chain coupling strength is weaker than the intra-molecule hopping term that leads the electron transition between chains is far less than the hopping within molecule. Based on the previous research, it is demonstrated that the key role for the change of the transition rate is the electric dipole moment. Referring to the recent experimental research, our results are well coincidence with the experiment observation.