Large scale mobility calculations in PEDOT (Poly(3,4-ethylenedioxythiophene)): Backmapping the coarse-grained MARTINI morphology
Nicolas Rolland, M. Modarresi, Juan Felipe Franco‐Gonzalez, Igor Zozoulenko
Topics & Concepts
PEDOT:PSSMolecular dynamicsMaterials sciencePolystyrene sulfonateChemical physicsElectron mobilityPoly(3,4-ethylenedioxythiophene)DopingPolymerChemistryComputational chemistryOptoelectronicsComposite materialConducting polymers and applicationsElectrochemical Analysis and ApplicationsAdvanced Battery Materials and Technologies