A Martini coarse-grained Molecular Dynamics (MD) model for the doped conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is developed. The morphology of PEDOT:Tos (i.e. PEDOT doped with molecular tosylate) and its crystallization in aqueous...

Computational microscopy based on Martini coarse grained molecular dynamics -MD- simulations of a doped conducting polymer poly-3,4-ethylenedioxythiophene-polystyrene sulfonate -best known as PEDOT:PSS- was performed focussing on the formation...