Jump to main content
Jump to site search

Issue 27, 2015
Previous Article Next Article

Structural stability and polarisation of ionic liquid films on silica surfaces

Author affiliations

Abstract

We used molecular dynamics simulations to investigate the effect of disorder of the hydroxylated amorphous silica surface on the structure of 8 nm IL films formed from two ionic liquids featuring the same cation 1-butyl-3-methyl-imidazolium or [BMIM], paired with bis(trifluoromethanesulphonyl)amide [NTF2] and tetrafluoroborate [BF4] anions. Several silica surfaces were modelled to estimate the effect of their atomic-scale configuration on the solid–liquid interface and the results are compared to those simulated on the crystalline cristobalite surface. Using strongly polar surfaces, we could also evaluate the response of the ILs to the electric field externally controlled or generated by charged defects in the silica film. We found that the structure of the liquids becomes weaker away from the interface and more susceptible to electric field. Our simulations show that [BMIM][BF4] has a large intrinsic dipole originating at the interface, resilient to external fields, while the polarisation of [BMIM][NTF2] can be more easily controlled.

Graphical abstract: Structural stability and polarisation of ionic liquid films on silica surfaces

Back to tab navigation

Supplementary files

Publication details

The article was received on 20 Apr 2015, accepted on 27 May 2015 and first published on 04 Jun 2015


Article type: Paper
DOI: 10.1039/C5CP02299A
Citation: Phys. Chem. Chem. Phys., 2015,17, 17661-17669
  •   Request permissions

    Structural stability and polarisation of ionic liquid films on silica surfaces

    F. Federici Canova, M. Mizukami, T. Imamura, K. Kurihara and A. L. Shluger, Phys. Chem. Chem. Phys., 2015, 17, 17661
    DOI: 10.1039/C5CP02299A

Search articles by author

Spotlight

Advertisements