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Adsorption of ionic liquids forming species on Ti3C2TxMXenes surfaces by first-principle calculations

Authors :
Sampaio, Abner M.
Silveira, Julian F.R.V.
Dias, Luis G.
Da Silva, Juarez L.F.
Siqueira, Leonardo J.A.
Source :
FlatChem; September 2022, Vol. 35 Issue: 1
Publication Year :
2022

Abstract

•The Ti3C2Tx 2D monolayers are quite stable upon the adsorption of ionic liquids forming molecules.•Dispersion interactions plays the main role in the adsorption of ionic pairs.•The Ti3C2F2has been shown to be the most suitable Titanium Carbide for supercapacitors.

Details

Language :
English
ISSN :
24522627
Volume :
35
Issue :
1
Database :
Supplemental Index
Journal :
FlatChem
Publication Type :
Periodical
Accession number :
ejs61657717
Full Text :
https://doi.org/10.1016/j.flatc.2022.100413