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Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field

SYSNO ASEP	0550069
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field
Author(s)	Nešpůrek, S. (CZ) Kuberský, P. (CZ) Polanský, R. (CZ) Trchová, M. (CZ) Šebera, Jakub (UOCHB-X)_{RID, ORCID} Sychrovský, Vladimír (UOCHB-X)_{RID, ORCID}
Source Title	Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076 Roč. 24, č. 1 (2022), s. 541-550
Number of pages	10 s.
Language	eng - English
Country	GB - United Kingdom
Keywords	Raman spectroscopy ; DFT ; PEDOT:PSS
OECD category	Physical chemistry
R&D Projects	GA18-14990S GA ČR - Czech Science Foundation (CSF)
Method of publishing	Limited access
Institutional support	UOCHB-X - RVO:61388963
UT WOS	000729859200001
EID SCOPUS	85121864296
DOI	10.1039/D1CP03899K
Annotation	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.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2023
Electronic address	https://doi.org/10.1039/D1CP03899K

Number of the records: 1