Restructuring of the electrical double layer in ionic liquids upon charging

V Ivaništšev, K Kirchner, T Kirchner, M V Fedorov

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

We have investigated the electrical double layer (EDL) structure at an interface between ionic liquid (IL) and charged surface using molecular dynamics simulations. We show that for three different models of ILs the EDL restructuring, driven by surface charging, can be rationalized by the use of two parameters - renormalized surface charge (κ) and charge excess in the interfacial layers (λ). Analysis of the relationship between the λ and κ parameters provides new insights into mechanisms of over-screening and charge-driven structural transitions in the EDL in ionic liquids. We show that the restructuring of the EDL upon charging in all three studied systems has two characteristic regimes: (1) transition from the bulk-like (κIon=0) to the multilayer structure (κIon≈0.5) through the formation of an ionic bilayer of counter- and co-ions; and (2) transition from the multilayer (κIon≈0.5) to the crowded (κIon>1) structure through the formation of a monolayer of counter-ions at κIon=1.

LanguageEnglish
Article number102101
Number of pages5
JournalJournal of Physics: Condensed Matter
Volume27
Issue number10
DOIs
Publication statusPublished - 13 Feb 2015

Fingerprint

Ionic Liquids
Ionic liquids
charging
Multilayers
Radiation counters
Surface charge
liquids
Molecular dynamics
Monolayers
Screening
Ions
counters
Computer simulation
laminates
ions
screening
molecular dynamics
simulation

Keywords

  • charged interfaces
  • electrical double layer
  • ionic liquids
  • liquid structure
  • molecular simulations
  • nanotribology
  • supercapacitors

Cite this

@article{66ccd20955f54ac49ed78266971497f6,
title = "Restructuring of the electrical double layer in ionic liquids upon charging",
abstract = "We have investigated the electrical double layer (EDL) structure at an interface between ionic liquid (IL) and charged surface using molecular dynamics simulations. We show that for three different models of ILs the EDL restructuring, driven by surface charging, can be rationalized by the use of two parameters - renormalized surface charge (κ) and charge excess in the interfacial layers (λ). Analysis of the relationship between the λ and κ parameters provides new insights into mechanisms of over-screening and charge-driven structural transitions in the EDL in ionic liquids. We show that the restructuring of the EDL upon charging in all three studied systems has two characteristic regimes: (1) transition from the bulk-like (κIon=0) to the multilayer structure (κIon≈0.5) through the formation of an ionic bilayer of counter- and co-ions; and (2) transition from the multilayer (κIon≈0.5) to the crowded (κIon>1) structure through the formation of a monolayer of counter-ions at κIon=1.",
keywords = "charged interfaces, electrical double layer, ionic liquids, liquid structure, molecular simulations, nanotribology, supercapacitors",
author = "V Ivaništšev and K Kirchner and T Kirchner and Fedorov, {M V}",
year = "2015",
month = "2",
day = "13",
doi = "10.1088/0953-8984/27/10/102101",
language = "English",
volume = "27",
journal = "Journal of Physics: Condensed Matter",
issn = "0953-8984",
number = "10",

}

Restructuring of the electrical double layer in ionic liquids upon charging. / Ivaništšev, V; Kirchner, K; Kirchner, T; Fedorov, M V.

In: Journal of Physics: Condensed Matter, Vol. 27, No. 10, 102101, 13.02.2015.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Restructuring of the electrical double layer in ionic liquids upon charging

AU - Ivaništšev, V

AU - Kirchner, K

AU - Kirchner, T

AU - Fedorov, M V

PY - 2015/2/13

Y1 - 2015/2/13

N2 - We have investigated the electrical double layer (EDL) structure at an interface between ionic liquid (IL) and charged surface using molecular dynamics simulations. We show that for three different models of ILs the EDL restructuring, driven by surface charging, can be rationalized by the use of two parameters - renormalized surface charge (κ) and charge excess in the interfacial layers (λ). Analysis of the relationship between the λ and κ parameters provides new insights into mechanisms of over-screening and charge-driven structural transitions in the EDL in ionic liquids. We show that the restructuring of the EDL upon charging in all three studied systems has two characteristic regimes: (1) transition from the bulk-like (κIon=0) to the multilayer structure (κIon≈0.5) through the formation of an ionic bilayer of counter- and co-ions; and (2) transition from the multilayer (κIon≈0.5) to the crowded (κIon>1) structure through the formation of a monolayer of counter-ions at κIon=1.

AB - We have investigated the electrical double layer (EDL) structure at an interface between ionic liquid (IL) and charged surface using molecular dynamics simulations. We show that for three different models of ILs the EDL restructuring, driven by surface charging, can be rationalized by the use of two parameters - renormalized surface charge (κ) and charge excess in the interfacial layers (λ). Analysis of the relationship between the λ and κ parameters provides new insights into mechanisms of over-screening and charge-driven structural transitions in the EDL in ionic liquids. We show that the restructuring of the EDL upon charging in all three studied systems has two characteristic regimes: (1) transition from the bulk-like (κIon=0) to the multilayer structure (κIon≈0.5) through the formation of an ionic bilayer of counter- and co-ions; and (2) transition from the multilayer (κIon≈0.5) to the crowded (κIon>1) structure through the formation of a monolayer of counter-ions at κIon=1.

KW - charged interfaces

KW - electrical double layer

KW - ionic liquids

KW - liquid structure

KW - molecular simulations

KW - nanotribology

KW - supercapacitors

UR - http://www.scopus.com/inward/record.url?scp=84923371288&partnerID=8YFLogxK

U2 - 10.1088/0953-8984/27/10/102101

DO - 10.1088/0953-8984/27/10/102101

M3 - Article

VL - 27

JO - Journal of Physics: Condensed Matter

T2 - Journal of Physics: Condensed Matter

JF - Journal of Physics: Condensed Matter

SN - 0953-8984

IS - 10

M1 - 102101

ER -