On the thickness of the double layer in ionic liquids

Systematic comparison of force fields for molecular dynamic simulation of Au(111)/Ionic liquid interfaces

(2018) Runxi Wang et al.   FLUID PHASE EQUILIBRIA

Charge storage at the nanoscale: understanding the trends from the molecular scale perspective

(2017) Jenel Vatamanu et al.   Journal of Materials Chemistry A

Spectroscopy study of ionic liquid restructuring at lead interface

(2016) Ove Oll et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale

(2016) Martin Hangaard Hansen et al.   Journal of Physical Chemistry C

Self-interaction error in DFT-based modelling of ionic liquids

(2016) Isabel Lage-Estebanez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical Studies on the Adsorption of 1-Butyl-3-methyl-imidazolium-hexafluorophosphate (BMI/PF $$_6$$ 6 ) on Au(100) Surfaces

(2016) Johannes Plöger et al.   TOPICS IN CATALYSIS

Structure and Nanostructure in Ionic Liquids

(2015) Robert Hayes et al.   CHEMICAL REVIEWS

Squeezout phenomena and boundary layer formation of a model ionic liquid under confinement and charging

(2015) R. Capozza et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Study of the Gold/Ionic Liquids Interface

(2015) Elisabete S. C. Ferreira et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Towards high throughput screening of electrochemical stability of battery electrolytes

(2015) Oleg Borodin et al.   NANOTECHNOLOGY

Interfacial Ordering and Accompanying Divergent Capacitance at Ionic Liquid-Metal Interfaces

(2015) David T. Limmer   PHYSICAL REVIEW LETTERS

Towards first principles modeling of electrochemical electrode–electrolyte interfaces

(2015) Malte Nielsen et al.   SURFACE SCIENCE

Ionic Liquids at Electrified Interfaces

(2014) Maxim V. Fedorov et al.   CHEMICAL REVIEWS

Poly(a)morphic portrait of the electrical double layer in ionic liquids

(2014) V. Ivaništšev et al.   ELECTROCHEMISTRY COMMUNICATIONS

Surface chemistry of carbon electrodes in 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid – an in situ infrared study

(2014) T. Romann et al.   ELECTROCHIMICA ACTA

Measurements of the potential of zero charge in room temperature ionic liquids at Ag electrode by surface-enhanced Raman spectroscopy

(2014) Yan Liu et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

The Electric Double Layer Has a Life of Its Own

(2014) Céline Merlet et al.   Journal of Physical Chemistry C

Three-Dimensional Double Layers

(2014) Alexei A. Kornyshev et al.   Journal of Physical Chemistry C

Microporous and Mesoporous Carbide-Derived Carbons for Strain Modification of Electromechanical Actuators

(2014) Janno Torop et al.   LANGMUIR

Effect of replacing [NTf2] by [PF6] anion on the [BMIm][NTf2] ionic liquid confined by gold

(2014) Daniel J.V.A. dos Santos et al.   MOLECULAR SIMULATION

Transition from non-monotonic to monotonic electrical diffuse layers: impact of confinement on ionic liquids

(2014) Arik Yochelis   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The electrical double layer at the ionic liquid/Au and Pt electrode interface

(2014) Cristiana Gomes et al.   RSC Advances

Electrical double layer in ionic liquids: Structural transitions from multilayer to monolayer structure at the interface

(2013) K. Kirchner et al.   ELECTROCHIMICA ACTA

Dicationic Ionic Liquid: Insight in the Electrical Double Layer Structure at mercury, glassy carbon and gold surfaces

(2013) Renata Costa et al.   ELECTROCHIMICA ACTA

Energy applications of ionic liquids

(2013) Douglas R. MacFarlane et al.   Energy & Environmental Science

Structure and dynamics of the interfacial layer between ionic liquids and electrode materials

(2013) Rob Atkin et al.   JOURNAL OF MOLECULAR LIQUIDS

Comparative Impedance Study of Cd(0001) Electrode in EMImBF4and KI Aqueous Solution at Different Temperatures

(2013) Vladislav Ivaništšev et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A molecular dynamics simulation study of the electric double layer and capacitance of [BMIM][PF6] and [BMIM][BF4] room temperature ionic liquids near charged surfaces

(2013) Zongzhi Hu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electric double layer studies at the interface of mercury–binary ionic liquid mixtures with a common anion

(2013) Renata Costa et al.   RSC Advances

Avoiding pitfalls in the modeling of electrochemical interfaces

(2012) Mårten E. Björketun et al.   CHEMICAL PHYSICS LETTERS

Structure-Property Relationships in Ionic Liquids: A Study of the Anion Dependence in Vaporization Enthalpies of Imidazolium-Based Ionic Liquids

(2012) Dzmitry H. Zaitsau et al.   CHEMPHYSCHEM

Abnormal infrared effects on bismuth thin film–EMImBF4 ionic liquid interface

(2012) T. Romann et al.   ELECTROCHEMISTRY COMMUNICATIONS

The electric double layer on graphite

(2012) N.B. Luque et al.   ELECTROCHIMICA ACTA

Influence of cation chemical composition and structure on the double layer capacitance for Bi(111)|room temperature ionic liquid interface

(2012) Liis Siinor et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Influence of temperature on the electrochemical characteristics of Bi(111)|ionic liquid interface

(2012) Liis Siinor et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

First-Principles Study of EMIM-FAFSA Molecule Adsorption on a Li(100) Surface as a Model for Li-Ion Battery Electrodes

(2012) Hubert Valencia et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation Study of the Interfacial Structure and Differential Capacitance of Alkylimidazolium Bis(trifluoromethanesulfonyl)imide [Cnmim][TFSI] Ionic Liquids at Graphite Electrodes

(2012) Jenel Vatamanu et al.   Journal of Physical Chemistry C

Electric Double Layer of Au(100)/Imidazolium-Based Ionic Liquids Interface: Effect of Cation Size

(2012) Yuzhuan Su et al.   Journal of Physical Chemistry C

Interfacial Structure of Room-Temperature Ionic Liquids at the Solid–Liquid Interface as Probed by Sum Frequency Generation Spectroscopy

(2012) Steven Baldelli   Journal of Physical Chemistry Letters

Influence of Room Temperature Ionic Liquid Anion Chemical Composition and Electrical Charge Delocalization on the Supercapacitor Properties

(2012) H. Kurig et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2

(2011) Jason P. Hallett et al.   CHEMICAL REVIEWS

The interfacial capacitance of Au(100) in an ionic liquid, 1-butyl-3-methyl-imidazolium hexafluorophosphate

(2011) Tamás Pajkossy et al.   ELECTROCHEMISTRY COMMUNICATIONS

Quasi in situ XPS study of electrochemical oxidation and reduction of highly oriented pyrolytic graphite in [1-ethyl-3-methylimidazolium][BF4] electrolytes

(2011) A. Foelske-Schmitz et al.   ELECTROCHIMICA ACTA

Slow and fast capacitive process taking place at the ionic liquid/electrode interface

(2011) Bernhard Roling et al.   FARADAY DISCUSSIONS

Simple Description of the Capacitance of the Double Layer of a High Concentration Electrolyte

(2011) Douglas Henderson et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Molecular dynamics simulations of EMI-BF4 in nanoporous carbon actuators

(2011) Endel Soolo et al.   JOURNAL OF MOLECULAR MODELING

A Classical Density Functional Theory of Ionic Liquids

(2011) Jan Forsman et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics forN-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes

(2011) Jenel Vatamanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

DFT Study of 1,3-Dimethylimidazolium Tetrafluoroborate on Al and Cu(111) Surfaces

(2011) T. P. C. Klaver et al.   Journal of Physical Chemistry C

On Capacitive Processes at the Interface between 1-Ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate and Au(111)

(2011) Marcel Drüschler et al.   Journal of Physical Chemistry C

Differential Capacitance at Au(111) in 1-Alkyl-3-methylimidazolium Tetrafluoroborate Based Room-Temperature Ionic Liquids

(2011) Muhammad Tanzirul Alam et al.   Journal of Physical Chemistry C

Graphene-Based Supercapacitors: A Computer Simulation Study

(2011) Youngseon Shim et al.   Journal of Physical Chemistry C

The interface between Au(100) and 1-butyl-3-methyl-imidazolium-hexafluorophosphate

(2011) M. Gnahm et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A “counter-charge layer in generalized solvents” framework for electrical double layers in neat and hybrid ionic liquid electrolytes

(2011) Guang Feng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrode screening by ionic liquids

(2011) R. M. Lynden-Bell et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Standard hydrogen electrode and potential of zero charge in density functional calculations

(2011) Vladimir Tripkovic et al.   PHYSICAL REVIEW B

Double Layer in Ionic Liquids: Overscreening versus Crowding

(2011) Martin Z. Bazant et al.   PHYSICAL REVIEW LETTERS

Electrolytes for high-energy lithium batteries

(2011) Jennifer L. Schaefer et al.   Applied Nanoscience

Task-Specific Ionic Liquids

(2010) Ralf Giernoth   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unexpected decomposition of the bis (trifluoromethylsulfonyl) amide anion during electrochemical copper oxidation in an ionic liquid

(2010) A.S. Ismail et al.   ELECTROCHEMISTRY COMMUNICATIONS

Dielectric permittivity of room temperature ionic liquids: A relation to the polar and nonpolar domain structures

(2010) Makoto Mizoshiri et al.   JOURNAL OF CHEMICAL PHYSICS

Ionic multilayers at the free surface of an ionic liquid, trioctylmethylammonium bis(nonafluorobutanesulfonyl)amide, probed by x-ray reflectivity measurements

(2010) Naoya Nishi et al.   JOURNAL OF CHEMICAL PHYSICS

The anatomy of the double layer and capacitance in ionic liquids with anisotropic ions: Electrostriction vs. lattice saturation

(2010) N. Georgi et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Electrical Double-Layer Capacitance in Room Temperature Ionic Liquids: Ion-Size and Specific Adsorption Effects

(2010) Y. Lauw et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

(2010) Egill Skúlason et al.   Journal of Physical Chemistry C

Double layer in room temperature ionic liquids: influence of temperature and ionic size on the differential capacitance and electrocapillary curves

(2010) Renata Costa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Differential capacitance of the double layer at the electrode/ionic liquids interface

(2010) Vera Lockett et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The importance of ion size and electrode curvature on electrical double layers in ionic liquids

(2010) Guang Feng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anomalously large capacitance of an ionic liquid described by the restricted primitive model

(2010) M. S. Loth et al.   PHYSICAL REVIEW E

Ionic Liquids in Chemical Engineering

(2010) Sebastian Werner et al.   Annual Review of Chemical and Biomolecular Engineering

New Frontiers in Materials Science Opened by Ionic Liquids

(2009) Tsukasa Torimoto et al.   ADVANCED MATERIALS

Double Layer of Au(100)/Ionic Liquid Interface and Its Stability in Imidazolium-Based Ionic Liquids

(2009) Yu-Zhuan Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrochemical windows and impedance characteristics of [Bmim+][BF4-] and [Bdmim+][BF4-] ionic liquids at the surfaces of Au, Pt, Ta and glassy carbon electrodes

(2009) Surya S. Moganty et al.   CHEMICAL PHYSICS LETTERS

The Madelung Constant of Organic Salts

(2009) Ekaterina I. Izgorodina et al.   CRYSTAL GROWTH & DESIGN

The interface between Au(111) and an ionic liquid

(2009) M. Gnahm et al.   ELECTROCHIMICA ACTA

Energy applications of ionic liquids

(2009) James F. Wishart   Energy & Environmental Science

Ab initio study of EMIM-BF4 crystal interaction with a Li (100) surface as a model for ionic liquid/Li interfaces in Li-ion batteries

(2009) Hubert Valencia et al.   JOURNAL OF CHEMICAL PHYSICS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Microstructure and Capacitance of the Electrical Double Layers at the Interface of Ionic Liquids and Planar Electrodes

(2009) G. Feng et al.   Journal of Physical Chemistry C

Measuring and predicting ΔvapH298 values of ionic liquids

(2009) Alexey Deyko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular dynamics simulation of the electrochemical interface between a graphite surface and the ionic liquid [BMIM][PF6]

(2009) Sergey A. Kislenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Surface Structure at the Ionic Liquid−Electrified Metal Interface

(2008) Steven Baldelli   ACCOUNTS OF CHEMICAL RESEARCH

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Towards understanding the structure and capacitance of electrical double layer in ionic liquids

(2008) Maxim V. Fedorov et al.   ELECTROCHIMICA ACTA

Electrical Double-Layer Structure in Ionic Liquids: A Corroboration of the Theoretical Model by Experimental Results

(2008) Md. Mominul Islam et al.   Journal of Physical Chemistry C

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C

Ab initiostudy ofEMIM-BF4molecule adsorption on Li surfaces as a model for ionic liquid/Li interfaces in Li-ion batteries

(2008) Hubert Valencia et al.   PHYSICAL REVIEW B

Molecular Layering of Fluorinated Ionic Liquids at a Charged Sapphire (0001) Surface

(2008) M. Mezger et al.   SCIENCE

Applications of ionic liquids in the chemical industry

(2007) Natalia V. Plechkova et al.   CHEMICAL SOCIETY REVIEWS