A nuanced understanding of the doping of poly(3,4-ethylenedioxythiophene) with tosylateShow others and affiliations
2023 (English)In: Discover Materials, E-ISSN 2730-7727, Vol. 3, no 10Article in journal (Refereed) Published
Abstract [en]
The conducting polymer poly(3,4-ethylenedioxythiophene) (known as PEDOT) is routinely fabricated into doped thin films for investigation of its inherent properties as well as for a range of applications. Fabrication of PEDOT is often achieved via oxidative polymerisation, where the conducting polymer is polymerised and doped (oxidised) to yield a conductive polymer thin film. The oxidiser and the polymerisation temperature are two parameters that may influence the properties and performance of the resultant PEDOT thin film. In this study, the role of temperature for the chemical polymerisation of PEDOT using the oxidiser iron tosylate is investigated from a computational and experimental viewpoint. While computations of the doping energetics suggest increasing doping with increasing temperature, x-ray photoelectron spectroscopy of fabricated PEDOT thin films indicate doping is much more complicated. With the aid of computations of the spatial distribution functions for tosylate in PEDOT, experiments indicate that two different populations of tosylate anions exist in the PEDOT matrix. Their relative populations change as a function of the polymerisation temperature. Therefore, polymerisation temperature plays a critical role in tailoring the properties of PEDOT in pursuit of being fit-for-purpose for the desired application.
Place, publisher, year, edition, pages
Springer, 2023. Vol. 3, no 10
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:ri:diva-66453DOI: 10.1007/s43939-023-00046-6OAI: oai:DiVA.org:ri-66453DiVA, id: diva2:1794415
Note
IZ acknowledges financial support from the Wallenberg Wood Science Center and Knut and Alice Wallenberg Foundation (project “H2O2”). The computations were performed on resources provided by the National Academic Infrastructure for Supercomputing in Sweden (NAISS) at NSC, HPC2N and PDC. The authors acknowledge the facilities, scientifc and technical assistance of Microscopy Australia at the University of South Australia, a facility that is co-funded by the University of South Australia, and the State and Federal Governments.
2023-09-052023-09-052023-10-31Bibliographically approved