Temperature-Dependent Dynamics of Polyalkylthiophene Conjugated Polymers: A Combined Neutron Scattering and Simulation Study

摘要: The dynamics of conjugated polymers are known to influence the performance optoelectronic devices. Polyalkylthiophenes a widely studied class polymers, which exhibit glass transition around room temperature and consequently sensitive variations. We two polyalkylthiophenes different side chain lengths (hexyl octyl) as function temperature, by comparing their quasi-elastic neutron scattering (QENS) with molecular simulations (MD). found good agreement between simulated experimental data within explored time window (of ∼4 ns), demonstrating that force fields used in MD appropriate QENS technique can be validation such fields. Using allows us identify assign contributions signal from parts determine activation energies motions.