Modelling the 3D Structure of PEDOT:PSS Supramolecular Assembly in Aqueous Dispersion Based on SAXS with Synchrotron Light

In this work, we study the poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) structure in aqueous dispersion with small-angle X-ray scattering (SAXS). In-depth structure analysis is achieved based on a set of complementary and sophisticated algorithms, which provide not only shape and packing of chains but also 3D structure of the colloids. The structure information of the PEDOT chain was extracted from the well-known Guinier, Porod and pair distance distribution function (PDDF) analysis of the SAXS data, while the 3D modelling was achieved with the DAMMIF and DAMAVER programs in ATSAS software package. To the best of our knowledge, we first establish the 3D model of the PEDOT:PSS colloids’ structure that will help people to understand the supramolecular assembly in aqueous dispersion, which sheds light on the solution structure study of polymers that are widely used in daily life. ELECTRONIC SUPPLEMENTARY INFORMATION: Electronic supplementary information (ESI) is available free of charge in the online version of this article at 10.1007/s10118-023-2963-x.