Molecular Dynamics Investigation of Charge Carrier Density Influence over Mobility in Conjugated Polymers

Charge carrier mobility is known to be one of the most important efficiency delimiting factors in conducting polymer-based electronic devices. As the transport mechanism in this class of material is nonconventional, many works have tried to elucidate the charge carrier's interaction with temperature, external electric field, and the collective effects they present. Even though the multiple trap-and-release model is often used to describe these effects, its applicability is known to be restricted to electronic properties. In this work we make use of a modified version of the Su-Schrieffer-Heeger model, the most used method to describe the important properties of conducting polymer in general, to investigate the influence of temperature and carrier densities over the transport mechanisms. We obtained different regimes of temperature and carriers density influence over the systems mobility, consistent with most of the experimental data available.