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Understanding the Impact of Film Disorder and Local Surface Potential in Ultraviolet Photoelectron Spectroscopy of PEDOT
Linköpings universitet, Institutionen för teknik och naturvetenskap. Linköpings universitet, Tekniska fakulteten.
Linköpings universitet, Institutionen för teknik och naturvetenskap, Fysik och elektroteknik. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0001-8845-6296
Linköpings universitet, Institutionen för fysik, kemi och biologi, Ytors Fysik och Kemi. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0001-9879-3915
Linköpings universitet, Institutionen för teknik och naturvetenskap, Fysik och elektroteknik. Linköpings universitet, Tekniska fakulteten.ORCID-id: 0000-0002-6078-3006
2018 (engelsk)Inngår i: Macromolecular rapid communications, ISSN 1022-1336, E-ISSN 1521-3927, Vol. 39, nr 4, artikkel-id 1700533Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
WILEY-V C H VERLAG GMBH , 2018. Vol. 39, nr 4, artikkel-id 1700533
Emneord [en]
conducting polymers; density of states; multiscale modeling; PEDOT; ultraviolet photoelectron spectroscopy (UPS)
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Identifikatorer
URN: urn:nbn:se:liu:diva-145796DOI: 10.1002/marc.201700533ISI: 000425472300004PubMedID: 29210526OAI: oai:DiVA.org:liu-145796DiVA, id: diva2:1192394
Merknad

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]

Tilgjengelig fra: 2018-03-22 Laget: 2018-03-22 Sist oppdatert: 2021-12-28

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Munoz, William ArmandoCrispin, XavierFahlman, MatsZozoulenko, Igor
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