In this study, poly(3,4-ethylenedioxythiophene), a benchmark-conducting polymer, was doped by protons. The doping and de-doping processes, using protonic acid and a base, were fully reversible. We predicted possible doping sites along the polymer chain using density functional theory (DFT) calculations. This study sheds potential light and understanding on the molecular design of highly conductive organic materials.
Keywords: organic semiconductor; oxidative doping; protonic doping.