The aim of this work is to provide a better understanding of the interface between graphite and different molecular and ionic liquids. Experimental measurements of the liquid surface tension and of the graphite-liquid contact angle for sixteen ionic liquids and three molecular liquids are reported. These experimental values allowed the calculation of the solid/liquid interfacial energy that varies, for the ionic liquids studied, between 14.5 mN m−1 for 1-ethyl-3-methylimidazolium dicyanamide and 37.8 mN m−1 for 3-dodecyl-1-(naphthalen-1-yl)-1H-imidazol-3-ium tetrafluoroborate. Imidazolium-based ionic liquids with large alkyl side-chains or functionalized with benzyl groups seem to interact more favourably with freshly peeled graphite surfaces. Even if the interfacial energy seems a good descriptor to assess the affinity of a liquid for a carbon-based solid material, we conclude that both the surface tension of the liquid and the contact angle between the liquid and the solid can be significant. Molecular dynamics simulations were used to investigate the ordering of the ions near the graphite surface. We conclude that the presence of large alkyl side-chains in the cations increases the ordering of ions at the graphite surface. Benzyl functional groups in the cations lead to a large affinity towards the graphite surface.
Skip Nav Destination
Ionic liquids at the surface of graphite: Wettability and structure
Article navigation
21 May 2018
Research Article|
March 29 2018
Ionic liquids at the surface of graphite: Wettability and structure

Emilie Bordes;
Emilie Bordes
1
Institut de Chimie de Clermont-Ferrand, Université Clermont Auvergne and CNRS
, 63178 Aubière, France
Search for other works by this author on:
Laurent Douce
;
Laurent Douce
2
Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg and CNRS
, 67034 Strasbourg, France
Search for other works by this author on:
Edward L. Quitevis
;
Edward L. Quitevis
3
Department of Chemistry and Biochemistry, Texas Tech University
, Lubbock, Texas 79409, USA
Search for other works by this author on:
Agílio A. H. Pádua
;
Agílio A. H. Pádua
a)
1
Institut de Chimie de Clermont-Ferrand, Université Clermont Auvergne and CNRS
, 63178 Aubière, France
Search for other works by this author on:
Margarida Costa Gomes
Margarida Costa Gomes
b)
1
Institut de Chimie de Clermont-Ferrand, Université Clermont Auvergne and CNRS
, 63178 Aubière, France
Search for other works by this author on:
a)
Electronic mail: [email protected]
b)
Electronic mail: [email protected]
J. Chem. Phys. 148, 193840 (2018)
Article history
Received:
October 25 2017
Accepted:
February 20 2018
Connected Content
A companion article has been published:
New measurements indicate potential exfoliant solvents for separating graphite into graphene
Citation
Emilie Bordes, Laurent Douce, Edward L. Quitevis, Agílio A. H. Pádua, Margarida Costa Gomes; Ionic liquids at the surface of graphite: Wettability and structure. J. Chem. Phys. 21 May 2018; 148 (19): 193840. https://doi.org/10.1063/1.5010604
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Freezing point depression of salt aqueous solutions using the Madrid-2019 model
Cintia P. Lamas, Carlos Vega, et al.
Related Content
Odd-even effect on the formation of aqueous biphasic systems formed by 1-alkyl-3-methylimidazolium chloride ionic liquids and salts
J. Chem. Phys. (April 2018)
Ultrafast vibrational spectroscopy (2D-IR) of CO2 in ionic liquids: Carbon capture from carbon dioxide’s point of view
J. Chem. Phys. (April 2015)
Dynamics of an excess hole in the 1-methyl-1-butyl-pyrrolidinium dicyanamide ionic-liquid
J. Chem. Phys. (February 2018)
On the density scaling of pVT data and transport properties for molecular and ionic liquids
J. Chem. Phys. (June 2012)
Pressure and temperature effects on intermolecular vibrational dynamics of ionic liquids
J. Chem. Phys. (March 2013)