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Understanding the Impact of Film Disorder and Local Surface Potential in Ultraviolet Photoelectron Spectroscopy of PEDOT
Linköping University, Department of Science and Technology. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0001-8845-6296
Linköping University, Department of Physics, Chemistry and Biology, Surface Physics and Chemistry. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0001-9879-3915
Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
2018 (English)In: Macromolecular rapid communications, ISSN 1022-1336, E-ISSN 1521-3927, Vol. 39, no 4, article id 1700533Article in journal (Refereed) Published
Abstract [en]

The spectra of conducting polymers obtained using ultraviolet photoelectron spectroscopy (UPS) exhibit a typical broadening of the tail sigma(UPS) approximate to 1 eV, which by an order of magnitude exceeds a commonly accepted value of the broadening of the tail of the density of states sigma(DOS) approximate to 0.1 eV obtained using transport measurements. In this work, an origin of this anomalous broadening of the tail of the UPS spectra in a doped conducting polymer, PEDOT (poly(3,4-ethylenedioxythiophene)), is discussed. Based on the semiempirical approach and using a realistic morphological model, the density of valence states in PEDOT doped with molecular counterions is computed. It is shown that due to a disordered character of the material with randomly distributed counterions, the localized charge carriers in PEDOT crystallites experience spatially varying electrostatic potential. This leads to spatially varying local vacuum levels and binding energies. Taking this variation into account the UPS spectrum is obtained with the broadening of the tail comparable to the experimentally observed one. The results imply that the observed broadening of the tail of the UPS spectra in PEDOT provides information about a disordered spatially varying potential in the material rather than the broadening of the DOS itself.

Place, publisher, year, edition, pages
WILEY-V C H VERLAG GMBH , 2018. Vol. 39, no 4, article id 1700533
Keywords [en]
conducting polymers; density of states; multiscale modeling; PEDOT; ultraviolet photoelectron spectroscopy (UPS)
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-145796DOI: 10.1002/marc.201700533ISI: 000425472300004PubMedID: 29210526OAI: oai:DiVA.org:liu-145796DiVA, id: diva2:1192394
Note

Funding Agencies|Swedish Energy Agency [38332-1]; Knut and Alice Wallenberg Foundation through the project The Tail of the Sun; European Research Council (ERC Starting Grant) [307596]; Troedssons foundation [896/16]; A-Forsk foundation [17-368]; Swedish Research Council via "Research Environment grant" on "Disposable paper fuel cells" [2016-05990]

Available from: 2018-03-22 Created: 2018-03-22 Last updated: 2018-03-22

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