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

0550069 - ÚOCHB 2023 RIV GB eng J - Článek v odborném periodiku
Nešpůrek, S. - Kuberský, P. - Polanský, R. - Trchová, M. - Šebera, Jakub - Sychrovský, Vladimír
Raman spectroscopy and DFT calculations of PEDOT:PSS in a dipolar field.
Physical Chemistry Chemical Physics. Roč. 24, č. 1 (2022), s. 541-550. ISSN 1463-9076. E-ISSN 1463-9084
Grant CEP: GA ČR(CZ) GA18-14990S
Institucionální podpora: RVO:61388963
Klíčová slova: Raman spectroscopy * DFT * PEDOT:PSS
Obor OECD: Physical chemistry
Impakt faktor: 3.3, rok: 2022
Způsob publikování: Omezený přístup
https://doi.org/10.1039/D1CP03899K

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.
Trvalý link: http://hdl.handle.net/11104/0325920