Jump to main content
Jump to site search

Issue 15, 2018
Previous Article Next Article

On the thickness of the double layer in ionic liquids

Author affiliations

Abstract

In this study, we examined the thickness of the electrical double layer (EDL) in ionic liquids using density functional theory (DFT) calculations and molecular dynamics (MD) simulations. We focused on BF4 anion adsorption from the 1-ethyl-3-methylimidazolium tetrafluoroborate (EMImBF4) ionic liquid on the Au(111) surface. At both DFT and MD levels, we evaluated the capacitance–potential dependence for the Helmholtz model of the interface. Using MD simulations, we also explored a more realistic, multilayer EDL model accounting for the ion layering. Concurrent analysis of the DFT and MD results provides a ground for thinking whether the electrical double layer in ionic liquids is one- or multi-ionic-layer thick.

Graphical abstract: On the thickness of the double layer in ionic liquids

Back to tab navigation

Supplementary files

Publication details

The article was received on 25 Nov 2017, accepted on 15 Mar 2018 and first published on 15 Mar 2018


Article type: Paper
DOI: 10.1039/C7CP07939G
Citation: Phys. Chem. Chem. Phys., 2018,20, 10275-10285
  •   Request permissions

    On the thickness of the double layer in ionic liquids

    A. Ruzanov, M. Lembinen, P. Jakovits, S. N. Srirama, I. V. Voroshylova, M. N. D. S. Cordeiro, C. M. Pereira, J. Rossmeisl and V. B. Ivaništšev, Phys. Chem. Chem. Phys., 2018, 20, 10275
    DOI: 10.1039/C7CP07939G

Search articles by author

Spotlight

Advertisements