Title:	Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field
Authors:	Nešpůrek, Stanislav Kuberský, Petr Polanský, Radek Trchová, Miroslava Šebera, Jakub Sychrovský, Vladimír
Citation:	NEŠPŮREK, S. KUBERSKÝ, P. POLANSKÝ, R. TRCHOVÁ, M. ŠEBERA, J. SYCHROVSKÝ, V. Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, roč. 24, č. 1, s. 541-550. ISSN: 1463-9076
Issue Date:	2022
Publisher:	Royal Society of Chemistry
Document type:	článek article
URI:	2-s2.0-85121864296 http://hdl.handle.net/11025/47034
ISSN:	1463-9076
Keywords in different language:	chemical modification;electronic structure;ionic liquids;polyelectrolytes;quantum chemistry
Abstract in different language:	The conductive polymer-electrolyte interface plays an important role in many electrochemical devices. An unusual situation arises when a solvent-free ionic liquid (SF-IL) is used as the electrolyte because it behaves as a molten salt rather than an electrolyte solution. On the basis of Raman spectra, it was found that the presence of ion pairs of SF-IL in the vicinity of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) results in a decrease in the oxidation level of the polymer and an increase in the HOMO-LUMO gap. The process of polymer “dedoping” and the modification of the electronic structure of the polymer are illustrated by quantum chemical calculations.
Rights:	© the Owner Societies
Appears in Collections:	Články / Articles (KET) OBD

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