A review of molecular modelling of electric double layer capacitors

Ruthenia-Based Electrochemical Supercapacitors: Insights from First-Principles Calculations

(2013) Vidvuds Ozoliņš et al.   ACCOUNTS OF CHEMICAL RESEARCH

Nanostructuring of β-MnO2: The Important Role of Surface to Bulk Ion Migration

(2013) David A. Tompsett et al.   CHEMISTRY OF MATERIALS

Influence of solvation on the structural and capacitive properties of electrical double layer capacitors

(2013) Céline Merlet et al.   ELECTROCHIMICA ACTA

Molecular Insights into Carbon Nanotube Supercapacitors: Capacitance Independent of Voltage and Temperature

(2013) Guang Feng et al.   Journal of Physical Chemistry C

Structural Modelling of Silicon Carbide-Derived Nanoporous Carbon by Hybrid Reverse Monte Carlo Simulation

(2013) Amir H. Farmahini et al.   Journal of Physical Chemistry C

Partition and Structure of Aqueous NaCl and CaCl2 Electrolytes in Carbon-Slit Electrodes

(2013) R. K. Kalluri et al.   Journal of Physical Chemistry C

Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors

(2013) De-en Jiang et al.   Journal of Physical Chemistry Letters

Molecular Insights into Carbon Supercapacitors Based on Room-Temperature Ionic Liquids

(2013) Guang Feng et al.   Journal of Physical Chemistry Letters

Increasing Energy Storage in Electrochemical Capacitors with Ionic Liquid Electrolytes and Nanostructured Carbon Electrodes

(2013) Jenel Vatamanu et al.   Journal of Physical Chemistry Letters

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

Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide

(2013) M. R. Lukatskaya et al.   SCIENCE

Scalable fabrication of high-power graphene micro-supercapacitors for flexible and on-chip energy storage

(2013) Maher F. El-Kady et al.   Nature Communications

Effects of Specific Adsorption on the Differential Capacitance of Imidazolium-Based Ionic Liquid Electrolytes

(2012) Xiujuan Si et al.   CHEMPHYSCHEM

Effect of pore size and its dispersity on the energy storage in nanoporous supercapacitors

(2012) S. Kondrat et al.   Energy & Environmental Science

Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces

(2012) Guang Feng et al.   Journal of Chemical Theory and Computation

Comparison of Molecular Dynamics with Classical Density Functional and Poisson–Boltzmann Theories of the Electric Double Layer in Nanochannels

(2012) Jonathan W. Lee et al.   Journal of Chemical Theory and Computation

Oscillations in the capacitance of a nanopore containing an electrolyte due to pore width and nonzero size ions

(2012) Douglas Henderson   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Structure and Dynamics of an Ionic Liquid Confined Inside a Charged Slit Graphitic Nanopore

(2012) Nav Nidhi Rajput et al.   Journal of Physical Chemistry C

On the Influence of Pore Size and Pore Loading on Structural and Dynamical Heterogeneities of an Ionic Liquid Confined in a Slit Nanopore

(2012) Nav Nidhi Rajput 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

New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations

(2012) Céline Merlet et al.   Journal of Physical Chemistry C

Choline-Based Ionic Liquids on Graphite Surfaces and Carbon Nanotubes Solvation: A Molecular Dynamics Study

(2012) Santiago Aparicio et al.   Journal of Physical Chemistry C

Electrode/Electrolyte Interface in Sulfolane-Based Electrolytes for Li Ion Batteries: A Molecular Dynamics Simulation Study

(2012) Lidan Xing et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation Study of the Capacitive Performance of a Binary Mixture of Ionic Liquids near an Onion-like Carbon Electrode

(2012) Song Li et al.   Journal of Physical Chemistry Letters

Nanopatterning of Electrode Surfaces as a Potential Route to Improve the Energy Density of Electric Double-Layer Capacitors: Insight from Molecular Simulations

(2012) Lidan Xing et al.   Journal of Physical Chemistry Letters

Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

(2012) Céline Merlet et al.   Journal of Physical Chemistry Letters

On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores

(2012) Lidan Xing et al.   Journal of Physical Chemistry Letters

Voltage Dependent Charge Storage Modes and Capacity in Subnanometer Pores

(2012) Peng Wu et al.   Journal of Physical Chemistry Letters

Mesoscale modeling of electric double layer capacitors with three-dimensional ordered structures

(2012) Hainan Wang et al.   JOURNAL OF POWER SOURCES

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores

(2011) Peng Wu et al.   ACS Nano

The Effect of Specific Adsorption of Cations and Their Size on the Charge-Compensation Mechanism in Carbon Micropores: The Role of Anion Desorption

(2011) Mikhael D. Levi et al.   CHEMPHYSCHEM

Simulation of electric double layer capacitors with mesoporous electrodes: Effects of morphology and electrolyte permittivity

(2011) Hainan Wang et al.   ELECTROCHIMICA ACTA

Graphene-based supercapacitors in the parallel-plate electrode configuration: Ionic liquidsversus organic electrolytes

(2011) Youngseon Shim et al.   FARADAY DISCUSSIONS

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

Aqueous NaCl Solutions within Charged Carbon-Slit Pores: Partition Coefficients and Density Distributions from Molecular Dynamics Simulations

(2011) Raja Kirthi Kalluri et al.   Journal of Physical Chemistry C

First-Principles Theory of Electrochemical Capacitance of Nanostructured Materials: Dipole-Assisted Subsurface Intercalation of Lithium in Pseudocapacitive TiO2 Anatase Nanosheets

(2011) Joongoo Kang et al.   Journal of Physical Chemistry C

Ab Initio Study of the Charge-Storage Mechanisms in RuO2-Based Electrochemical Ultracapacitors

(2011) Yongduo Liu et al.   Journal of Physical Chemistry C

Effects of Pore Size and Pore Loading on the Properties of Ionic Liquids Confined Inside Nanoporous CMK-3 Carbon Materials

(2011) Joshua Monk et al.   Journal of Physical Chemistry C

Temperature-Dependent Structure and Electrochemical Behavior of RuO2/Carbon Nanocomposites

(2011) Zachary R. Cormier et al.   Journal of Physical Chemistry C

Graphene-Based Supercapacitors: A Computer Simulation Study

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

Accurate Simulations of Electric Double Layer Capacitance of Ultramicroelectrodes

(2011) Hainan Wang et al.   Journal of Physical Chemistry C

Heterogeneity in the Dynamics of the Ionic Liquid [BMIM+][PF6–] Confined in a Slit Nanopore

(2011) Ramesh Singh et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulation Studies of the Structure of a Mixed Carbonate/LiPF6 Electrolyte near Graphite Surface as a Function of Electrode Potential

(2011) Jenel Vatamanu et al.   Journal of Physical Chemistry C

Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

(2011) Céline Merlet et al.   Journal of Physical Chemistry C

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size

(2011) Guang Feng et al.   Journal of Physical Chemistry Letters

On the Influence of Surface Topography on the Electric Double Layer Structure and Differential Capacitance of Graphite/Ionic Liquid Interfaces

(2011) Jenel Vatamanu et al.   Journal of Physical Chemistry Letters

Oscillation of Capacitance inside Nanopores

(2011) De-en Jiang et al.   NANO LETTERS

Capacitance in carbon pores of 0.7 to 15 nm: a regular pattern

(2011) Teresa A. Centeno et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2011) S. Kondrat et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study

(2010) Youngseon Shim et al.   ACS Nano

Ion Distribution in Electrified Micropores and Its Role in the Anomalous Enhancement of Capacitance

(2010) Guang Feng et al.   ACS Nano

Thermophysical Properties of Pure Ionic Liquids: Review of Present Situation

(2010) Santiago Aparicio et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Three component model of cylindrical electric double layers containing mixed electrolytes: A systematic study by Monte Carlo simulations and density functional theory

(2010) Teena Goel 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

Structure of Spherical Electric Double Layers Containing Mixed Electrolytes: A Systematic Study by Monte Carlo Simulations and Density Functional Theory

(2010) Chandra N. Patra   JOURNAL OF PHYSICAL CHEMISTRY B

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

A Computational Study of the Behavior of the Ionic Liquid [BMIM+][PF6−] Confined Inside Multiwalled Carbon Nanotubes

(2010) Ramesh Singh et al.   Journal of Physical Chemistry C

Molecular Dynamics Study of Interfacial Confinement Effects of Aqueous NaCl Brines in Nanoporous Carbon

(2010) Matthew C. F. Wander et al.   Journal of Physical Chemistry C

Atomistic Insight on the Charging Energetics in Subnanometer Pore Supercapacitors

(2010) Guang Feng et al.   Journal of Physical Chemistry C

Electrical Double Layer Properties in Diameter Asymmetric Molten Salt Investigated by Grand Canonical Monte Carlo Method

(2010) Jacek Kłos et al.   Journal of Physical Chemistry C

Differential Capacitance of Room Temperature Ionic Liquids: The Role of Dispersion Forces

(2010) Martin Trulsson et al.   Journal of Physical Chemistry Letters

Superionic state in double-layer capacitors with nanoporous electrodes

(2010) S Kondrat et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Effect of a Quaternary Ammonium Salt on Propylene Carbonate Structure in Slit-Shape Carbon Nanopores

(2010) Akimi Tanaka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes

(2010) Jenel Vatamanu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tailoring the Pore Alignment for Rapid Ion Transport in Microporous Carbons

(2010) Adam Kajdos et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrahigh-power micrometre-sized supercapacitors based on onion-like carbon

(2010) David Pech et al.   Nature Nanotechnology

Charge storage mechanism in nanoporous carbons and its consequence for electrical double layer capacitors

(2010) P. Simon et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Influence of temperature on the structure and dynamics of the [BMIM][PF6] ionic liquid/graphite interface

(2010) Sergey A. Kislenko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure and dynamics of electrical double layers in organic electrolytes

(2010) Guang Feng 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

Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics

(2009) J.C. Palmer et al.   CARBON

Investigation of the Ion Storage/Transfer Behavior in an Electrical Double-Layer Capacitor by Using Ordered Microporous Carbons as Model Materials

(2009) Hirotomo Nishihara et al.   CHEMISTRY-A EUROPEAN JOURNAL

Double layer in ionic liquids: The nature of the camel shape of capacitance

(2009) M.V. Fedorov et al.   ELECTROCHEMISTRY COMMUNICATIONS

Solvent effect on the ion adsorption from ionic liquid electrolyte into sub-nanometer carbon pores

(2009) R. Lin et al.   ELECTROCHIMICA ACTA

Electrochemistry in Room-Temperature Ionic Liquids: Potential Windows at Mercury Electrodes

(2009) Emma I. Rogers et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Phase Compositions of Aqueous Two-Phase Systems Formed by L35 and Salts at Different Temperatures

(2009) Leandro Rodrigues de Lemos et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Molecular Dynamic Simulations of Ionic Liquids at Graphite Surface

(2009) Shu Wang et al.   Journal of Physical Chemistry C

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

Molecular Simulation of Electric Double-Layer Capacitors Based on Carbon Nanotube Forests

(2009) Lu Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

(2008) Jingsong Huang et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

Monte Carlo simulation of electrical double-layer formation from mixtures of electrolytes inside nanopores

(2008) Chia-Hung Hou et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular solvent model of cylindrical electric double layers: A systematic study by Monte Carlo simulations and density functional theory

(2008) Teena Goel et al.   JOURNAL OF CHEMICAL PHYSICS

Interactions and Dynamics in Ionic Liquids

(2008) Alexander Stoppa et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic Liquid Near a Charged Wall: Structure and Capacitance of Electrical Double Layer

(2008) Maxim V. Fedorov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Capacitance Measurements in a Series of Room-Temperature Ionic Liquids at Glassy Carbon and Gold Electrode Interfaces

(2008) Muhammad Tanzirul Alam et al.   Journal of Physical Chemistry C

Differential Capacitance of the Electrical Double Layer in Imidazolium-Based Ionic Liquids:  Influence of Potential, Cation Size, and Temperature

(2008) Vera Lockett et al.   Journal of Physical Chemistry C

Relation between the Ion Size and Pore Size for an Electric Double-Layer Capacitor

(2008) Celine Largeot et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Materials for electrochemical capacitors

(2008) Patrice Simon et al.   NATURE MATERIALS

Theoretical Model for Nanoporous Carbon Supercapacitors

(2007) Jingsong Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION