skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on February 19, 2021

Title: Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1600589
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
[Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 7]; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Park, Suehyun, and McDaniel, Jesse G. Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids. United States: N. p., 2020. Web. doi:10.1063/1.5144260.
Park, Suehyun, & McDaniel, Jesse G. Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids. United States. doi:10.1063/1.5144260.
Park, Suehyun, and McDaniel, Jesse G. Fri . "Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids". United States. doi:10.1063/1.5144260.
@article{osti_1600589,
title = {Interference of electrical double layers: Confinement effects on structure, dynamics, and screening of ionic liquids},
author = {Park, Suehyun and McDaniel, Jesse G.},
abstractNote = {},
doi = {10.1063/1.5144260},
journal = {Journal of Chemical Physics},
number = [7],
volume = [152],
place = {United States},
year = {2020},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 19, 2021
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Ionic Liquid Mixture at the Vacuum Interface and the Peaks and Antipeaks Analysis of X-ray Reflectivity
journal, January 2019

  • Wu, Fei; Karunaratne, Waruni V.; Margulis, Claudio J.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 8
  • DOI: 10.1021/acs.jpcc.8b11958

Ionic-liquid materials for the electrochemical challenges of the future
journal, July 2009

  • Armand, Michel; Endres, Frank; MacFarlane, Douglas R.
  • Nature Materials, Vol. 8, Issue 8, p. 621-629
  • DOI: 10.1038/nmat2448

Nanoconfined ionic liquids under electric fields
journal, January 2010

  • Xie, Guoxin; Luo, Jianbin; Guo, Dan
  • Applied Physics Letters, Vol. 96, Issue 4
  • DOI: 10.1063/1.3292213

Ionic Liquids Confined in Hydrophilic Nanocontacts: Structure and Lubricity in the Presence of Water
journal, March 2014

  • Espinosa-Marzal, R. M.; Arcifa, A.; Rossi, A.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 12
  • DOI: 10.1021/jp5000123

Ionic Liquids at Electrified Interfaces
journal, March 2014

  • Fedorov, Maxim V.; Kornyshev, Alexei A.
  • Chemical Reviews, Vol. 114, Issue 5
  • DOI: 10.1021/cr400374x

Materials for electrochemical capacitors
journal, November 2008

  • Simon, Patrice; Gogotsi, Yury
  • Nature Materials, Vol. 7, Issue 11
  • DOI: 10.1038/nmat2297

Structure in Confined Room-Temperature Ionic Liquids
journal, April 2007

  • Atkin, Rob; Warr, Gregory G.
  • The Journal of Physical Chemistry C, Vol. 111, Issue 13
  • DOI: 10.1021/jp067420g

Inner Layer Capacitance of Organic Electrolytes from Constant Voltage Molecular Dynamics
journal, January 2020

  • Tu, Yi-Jung; Delmerico, Samuel; McDaniel, Jesse G.
  • The Journal of Physical Chemistry C, Vol. 124, Issue 5
  • DOI: 10.1021/acs.jpcc.0c00299

Pronounced Structure in Confined Aprotic Room-Temperature Ionic Liquids
journal, May 2009

  • Hayes, Robert; El Abedin, Sherif Zein; Atkin, Rob
  • The Journal of Physical Chemistry B, Vol. 113, Issue 20
  • DOI: 10.1021/jp902837s

Ion Correlation and Collective Dynamics in BMIM/BF 4 -Based Organic Electrolytes: From Dilute Solutions to the Ionic Liquid Limit
journal, June 2018

  • McDaniel, Jesse G.; Son, Chang Yun
  • The Journal of Physical Chemistry B, Vol. 122, Issue 28
  • DOI: 10.1021/acs.jpcb.8b04886

Safe, high-energy supercapacitors based on solvent-free ionic liquid electrolytes
journal, December 2008


Molecular dynamics simulations of the ionic liquid [EMIM+][TFMSI−] confined inside rutile (110) slit nanopores
journal, January 2013

  • Singh, Ramesh; Rajput, Nav Nidhi; He, Xiaoxia
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 38
  • DOI: 10.1039/c3cp51266e

Ewald summation for systems with slab geometry
journal, August 1999

  • Yeh, In-Chul; Berkowitz, Max L.
  • The Journal of Chemical Physics, Vol. 111, Issue 7
  • DOI: 10.1063/1.479595

Efficient storage mechanisms for building better supercapacitors
journal, May 2016


A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes
journal, July 2008

  • Huang, Jingsong; Sumpter, Bobby G.; Meunier, Vincent
  • Chemistry - A European Journal, Vol. 14, Issue 22
  • DOI: 10.1002/chem.200800639

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond
journal, May 2008


OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
journal, November 2012

  • Eastman, Peter; Friedrichs, Mark S.; Chodera, John D.
  • Journal of Chemical Theory and Computation, Vol. 9, Issue 1
  • DOI: 10.1021/ct300857j

Understanding the Properties of Ionic Liquids: Electrostatics, Structure Factors, and Their Sum Rules
journal, April 2019

  • McDaniel, Jesse G.; Yethiraj, Arun
  • The Journal of Physical Chemistry B, Vol. 123, Issue 16
  • DOI: 10.1021/acs.jpcb.9b00963

Analysis of Water in Confined Geometries and at Interfaces
journal, June 2010


Aqueous Solutions at the Interface with Phospholipid Bilayers
journal, July 2011

  • Berkowitz, Max L.; Vácha, Robert
  • Accounts of Chemical Research, Vol. 45, Issue 1
  • DOI: 10.1021/ar200079x

Nanoconfined ionic liquids: effect of surface charges on flow and molecular layering
journal, January 2010

  • Bou-Malham, Ibrahim; Bureau, Lionel
  • Soft Matter, Vol. 6, Issue 17
  • DOI: 10.1039/c0sm00377h

Evaluation of Force Field Performance for High-Throughput Screening of Gas Uptake in Metal–Organic Frameworks
journal, January 2015

  • McDaniel, Jesse G.; Li, Song; Tylianakis, Emmanouil
  • The Journal of Physical Chemistry C, Vol. 119, Issue 6
  • DOI: 10.1021/jp511674w

Highly confined ions store charge more efficiently in supercapacitors
journal, October 2013

  • Merlet, C.; Péan, C.; Rotenberg, B.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3701

Ab Initio Force Fields for Imidazolium-Based Ionic Liquids
journal, July 2016

  • McDaniel, Jesse G.; Choi, Eunsong; Son, Chang Yun
  • The Journal of Physical Chemistry B, Vol. 120, Issue 28
  • DOI: 10.1021/acs.jpcb.6b05328

Resonance shear measurement of nanoconfined ionic liquids
journal, January 2010

  • Ueno, Kazuhide; Kasuya, Motohiro; Watanabe, Masayoshi
  • Physical Chemistry Chemical Physics, Vol. 12, Issue 16
  • DOI: 10.1039/b923571j

Relation between the Ion Size and Pore Size for an Electric Double-Layer Capacitor
journal, March 2008

  • Largeot, Celine; Portet, Cristelle; Chmiola, John
  • Journal of the American Chemical Society, Vol. 130, Issue 9
  • DOI: 10.1021/ja7106178

On sum rules and Stillinger–Lovett conditions for inhomogeneous Coulomb systems
journal, March 1983

  • Carnie, Steven L.
  • The Journal of Chemical Physics, Vol. 78, Issue 5
  • DOI: 10.1063/1.444984

Dynamic shear force microscopy of confined liquids at a gold electrode
journal, January 2017

  • Krämer, Günther; Hausen, Florian; Bennewitz, Roland
  • Faraday Discussions, Vol. 199
  • DOI: 10.1039/c6fd00237d

Ionic liquids in electrochemical energy storage
journal, June 2018


Fast diffusion in a room temperature ionic liquid confined in mesoporous carbon
journal, March 2012


Ionic Liquid-Based Electrolytes for Supercapacitor and Supercapattery
journal, April 2019


Ionic liquids confined in porous matrices: Physicochemical properties and applications
journal, July 2014


Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
journal, August 2003

  • Lamoureux, Guillaume; Roux, Benoı̂t
  • The Journal of Chemical Physics, Vol. 119, Issue 6
  • DOI: 10.1063/1.1589749

A Gouy–Chapman–Stern model of the double layer at a (metal)/(ionic liquid) interface
journal, February 2008


A review of molecular modelling of electric double layer capacitors
journal, January 2014

  • Burt, Ryan; Birkett, Greg; Zhao, X. S.
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 14
  • DOI: 10.1039/c3cp55186e

Influence of Temperature and Molecular Structure on Ionic Liquid Solvation Layers
journal, April 2009

  • Wakeham, Deborah; Hayes, Robert; Warr, Gregory G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 17
  • DOI: 10.1021/jp900815q

General Restriction on the Distribution of Ions in Electrolytes
journal, September 1968

  • Stillinger, Frank H.; Lovett, Ronald
  • The Journal of Chemical Physics, Vol. 49, Issue 5
  • DOI: 10.1063/1.1670358

Direct Correlation between Ionic Liquid Transport Properties and Ion Pair Lifetimes: A Molecular Dynamics Study
journal, February 2015


A superionic state in nano-porous double-layer capacitors: insights from Monte Carlo simulations
journal, January 2011

  • Kondrat, S.; Georgi, N.; Fedorov, M. V.
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 23
  • DOI: 10.1039/c1cp20798a

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores
journal, October 2011

  • Wu, Peng; Huang, Jingsong; Meunier, Vincent
  • ACS Nano, Vol. 5, Issue 11
  • DOI: 10.1021/nn203260w

Classical Coulomb systems: Screening and correlations revisited
journal, July 1995

  • Jancovici, B.
  • Journal of Statistical Physics, Vol. 80, Issue 1-2
  • DOI: 10.1007/bf02178367

Ionic liquids for electrochemical energy storage devices applications
journal, April 2019


Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer
journal, September 2006


Accelerating charging dynamics in subnanometre pores
journal, March 2014

  • Kondrat, Svyatoslav; Wu, Peng; Qiao, Rui
  • Nature Materials, Vol. 13, Issue 4
  • DOI: 10.1038/nmat3916

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?
journal, December 2012

  • Merlet, Céline; Péan, Clarisse; Rotenberg, Benjamin
  • The Journal of Physical Chemistry Letters, Vol. 4, Issue 2
  • DOI: 10.1021/jz3019226

Influence of Electronic Polarization on the Structure of Ionic Liquids
journal, August 2018


Polarization Effects in Binary [BMIM + ][BF 4 ]/1,2-Dichloroethane, Acetone, Acetonitrile, and Water Electrolytes
journal, March 2018


Self-assembly in the electrical double layer of ionic liquids
journal, January 2011

  • Perkin, Susan; Crowhurst, Lorna; Niedermeyer, Heiko
  • Chemical Communications, Vol. 47, Issue 23
  • DOI: 10.1039/c1cc11322d

Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study
journal, March 2010


Carbon-Based Supercapacitors Produced by Activation of Graphene
journal, May 2011


Structural Properties and Vibrational Spectra of Ethylammonium Nitrate Ionic Liquid Confined in Single-Walled Carbon Nanotubes
journal, February 2016

  • Zhou, Guobing; Li, Yunzhi; Yang, Zhen
  • The Journal of Physical Chemistry C, Vol. 120, Issue 9
  • DOI: 10.1021/acs.jpcc.6b00307

Ion‐Pair Theory of Concentrated Electrolytes. I. Basic Concepts
journal, May 1968

  • Stillinger, Frank H.; Lovett, Ronald
  • The Journal of Chemical Physics, Vol. 48, Issue 9
  • DOI: 10.1063/1.1669709

Ultrafast diffusion of Ionic Liquids Confined in Carbon Nanotubes
journal, June 2016

  • Ghoufi, Aziz; Szymczyk, Anthony; Malfreyt, Patrice
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep28518

Electroviscous Retardation of the Squeeze Out of Nanoconfined Ionic Liquids
journal, August 2018

  • Han, Mengwei; Espinosa-Marzal, Rosa M.
  • The Journal of Physical Chemistry C, Vol. 122, Issue 37
  • DOI: 10.1021/acs.jpcc.8b04778

Electrical properties of polarizable ionic solutions. II. Computer simulation results
journal, November 1989

  • Caillol, J. M.; Levesque, D.; Weis, J. J.
  • The Journal of Chemical Physics, Vol. 91, Issue 9
  • DOI: 10.1063/1.457558

Electrical properties of polarizable ionic solutions. I. Theoretical aspects
journal, November 1989

  • Caillol, J. M.; Levesque, D.; Weis, J. J.
  • The Journal of Chemical Physics, Vol. 91, Issue 9
  • DOI: 10.1063/1.457557

PACKMOL: A package for building initial configurations for molecular dynamics simulations
journal, October 2009

  • Martínez, L.; Andrade, R.; Birgin, E. G.
  • Journal of Computational Chemistry, Vol. 30, Issue 13
  • DOI: 10.1002/jcc.21224

Nanoconfined Ionic Liquids
journal, December 2016


Superionic state in double-layer capacitors with nanoporous electrodes
journal, December 2010


Enhanced charge transport in nano-confined ionic liquids
journal, January 2012

  • Iacob, C.; Sangoro, J. R.; Kipnusu, W. K.
  • Soft Matter, Vol. 8, Issue 2
  • DOI: 10.1039/c1sm06581e

A smooth particle mesh Ewald method
journal, November 1995

  • Essmann, Ulrich; Perera, Lalith; Berkowitz, Max L.
  • The Journal of Chemical Physics, Vol. 103, Issue 19
  • DOI: 10.1063/1.470117

Confined Water as Model of Supercooled Water
journal, March 2016


Heterogeneity in the Dynamics of the Ionic Liquid [BMIM + ][PF 6 ] Confined in a Slit Nanopore
journal, August 2011

  • Singh, Ramesh; Monk, Joshua; Hung, Francisco R.
  • The Journal of Physical Chemistry C, Vol. 115, Issue 33
  • DOI: 10.1021/jp2046118

Ionic liquids in confined geometries
journal, January 2012

  • Perkin, Susan
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 15
  • DOI: 10.1039/c2cp23814d

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size
journal, October 2011

  • Feng, Guang; Cummings, Peter T.
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 22
  • DOI: 10.1021/jz201312e

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields
journal, May 2019


A sum rule for an inhomogeneous electrolyte
journal, December 1981

  • Blum, Lesser; Henderson, Douglas; Lebowitz, Joel L.
  • The Journal of Chemical Physics, Vol. 75, Issue 12
  • DOI: 10.1063/1.442025

The stillinger—lovett condition for non-uniform electrolytes
journal, February 1981


Layering Transitions and Dynamics of Confined Liquid Films
journal, July 1997


Layering and shear properties of an ionic liquid, 1-ethyl-3-methylimidazolium ethylsulfate, confined to nano-films between mica surfaces
journal, January 2010

  • Perkin, Susan; Albrecht, Tim; Klein, Jacob
  • Phys. Chem. Chem. Phys., Vol. 12, Issue 6
  • DOI: 10.1039/b920571c

Double-Layer in Ionic Liquids:  Paradigm Change?
journal, May 2007

  • Kornyshev, Alexei A.
  • The Journal of Physical Chemistry B, Vol. 111, Issue 20
  • DOI: 10.1021/jp067857o

Structure and Dynamics of a Confined Ionic Liquid. Topics of Relevance to Dye-Sensitized Solar Cells
journal, September 2005

  • Pinilla, Carlos; Del Pópolo, Mario G.; Lynden-Bell, Ruth M.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 38
  • DOI: 10.1021/jp052999o