Dynamical simulation of exciton dissociation in poly(para-phenylenevinylene) systems

Polaron dynamics in a system of two randomly coupled polymer chains is simulated using a nonadiabatic evolution method. The simulations are performed within the framework of the Su-Schrieffer-Heeger model modified to include disordered interchain interactions and an external electric field. By analysing the polaron velocity statistically, we find that the polaron motion is determined by the competition between the electric field and the disordered interchain interactions. Polaron dynamics are classified into two types, weak-coupling dynamics and strong-coupling dynamics. It is found that the strength of interchain interactions is the dominant factor controlling charge propagation in weak-coupling dynamics, whereas the effects of disorder are dominant in strong-coupling dynamics. The charge carriers tend to have higher mobility for stronger interchain coupling, and interchain coupling disorder can be favorable for charge transport depending on the coupling strength and the electric field.

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Dynamical simulation of exciton dissociation in poly(para-phenylenevinylene) systems

Cited by 4 publications

References 22 publications

Impurity effects and temperature influence on the exciton dissociation dynamics in conjugated polymers

Impurity effects and temperature influence on the exciton dissociation dynamics in conjugated polymers

A study on excited-state properties of conjugated polymers using the Pariser-Parr-Pople-Peierls model combined with configuration-interaction-singles

Effects of disordered interchain interactions on polaron dynamics in semiconducting polymers

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