Charge transport and structure in semimetallic polymers

Sam Rudd, Juan F. Franco-Gonzalez, Sandeep Kumar Singh, Zia Ullah Khan, Xavier Crispin, Jens Wenzel Andreasen, Igor Zozoulenko, Drew Evans

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Owing to changes in their chemistry and structure, polymers can be fabricated to demonstrate vastly different electrical conductivities over many orders of magnitude. At the high end of conductivity is the class of conducting polymers, which are ideal candidates for many applications in low-cost electronics. Here, we report the influence of the nature of the doping anion at high doping levels within the semi-metallic conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) on its electronic transport properties. Hall effect measurements on a variety of PEDOT samples show that the choice of doping anion can lead to an order of magnitude enhancement in the charge carrier mobility > 3 cm2/Vs at conductivities approaching 3000 S/cm under ambient conditions. Grazing Incidence Wide Angle X-ray Scattering, Density Functional Theory calculations, and Molecular Dynamics simulations indicate that the chosen doping anion modifies the way PEDOT chains stack together. This link between structure and specific anion doping at high doping levels has ramifications for the fabrication of conducting polymer-based devices.
Original languageEnglish
JournalJournal of Polymer Science. Part B, Polymer Physics
Issue number1
Pages (from-to)97-104
Publication statusPublished - 2017

Bibliographical note

This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.


  • Charge transport
  • Conducting polymers
  • DFT
  • DFT calculations
  • MD simulations
  • Molecular dynamics
  • WAXS


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