Molecular dynamics of solutions of poly-3-octyl-thiophene and functionalized single wall carbon nanotubes studied by neutron scattering

Using both quasielastic and elastic window neutron spectroscopy, we study the molecular dynamics of poly-3-octyl-thiophene and of mixtures of carbon nanotube derivatives and poly-3-octyl-thiophene, both in deuterated toluene solutions. From the analysis of the experimental results of solutions for a broad range of concentrations, from very diluted to concentrated, different regimes of molecular motions are established, and a critical concentration between 2 and 3 wt% for the overlapping of macromolecules is obtained, including evidence of gelation processes for the higher concentrations driven by the entanglement of the macromolecules. Additionally, the temperature and momentum dependence of the characteristic times of the motions are obtained from the fit of the experimental data to stretched exponential models, delivering temperature dependent subnanosecond timescales for the diffusion of the macromolecule (0.02–0.5 ns).