On the application of constant electrode potential simulation techniques in atomistic modelling of electric double layers

Evaluation of molecular dynamics simulation methods for ionic liquid electric double layers

(2016) Justin B. Haskins et al.   JOURNAL OF CHEMICAL PHYSICS

A comparative study of room temperature ionic liquids and their organic solvent mixtures near charged electrodes

(2016) Jenel Vatamanu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Non-Faradaic Energy Storage by Room Temperature Ionic Liquids in Nanoporous Electrodes

(2015) Jenel Vatamanu et al.   ACS Nano

Structure and Nanostructure in Ionic Liquids

(2015) Robert Hayes et al.   CHEMICAL REVIEWS

Structural ordering transitions in ionic liquids mixtures

(2015) Renata Costa et al.   ELECTROCHEMISTRY COMMUNICATIONS

Charge Storage on Ionic Liquid Electric Double Layer: The Role of the Electrode Material

(2015) Renata Costa et al.   ELECTROCHIMICA ACTA

Ionic liquids at charged surfaces: Insight from molecular simulations

(2015) Dmitry Bedrov et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability

(2015) Justin B. Haskins et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Response of 1-Butyl-3-Methylimidazolium Dicyanamide Ionic Liquid at the Graphene Electrode Interface Investigated by Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations

(2015) Siyun Xu et al.   Journal of Physical Chemistry C

Capacitive Energy Storage: Current and Future Challenges

(2015) Jenel Vatamanu et al.   Journal of Physical Chemistry Letters

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

(2015) Yadong He et al.   Journal of Physical Chemistry Letters

Structural Transitions at Ionic Liquid Interfaces

(2015) Benjamin Rotenberg et al.   Journal of Physical Chemistry Letters

Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors

(2015) Jenel Vatamanu et al.   NANOTECHNOLOGY

Ionic Liquids at Electrified Interfaces

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

A comparative study of alkylimidazolium room temperature ionic liquids with FSI and TFSI anions near charged electrodes

(2014) Zongzhi Hu et al.   ELECTROCHIMICA ACTA

Evaluation of the constant potential method in simulating electric double-layer capacitors

(2014) Zhenxing Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Handling of Gaussian Charge Distributions: An Application to Polarizable Molecular Models

(2014) Péter T. Kiss et al.   Journal of Chemical Theory and Computation

Influence of temperature on the capacitance of ionic liquid electrolytes on charged surfaces

(2014) Jenel Vatamanu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single-File Charge Storage in Conducting Nanopores

(2014) Alpha A. Lee et al.   PHYSICAL REVIEW LETTERS

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

(2014) Cristiana Gomes et al.   RSC Advances

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

(2013) Céline Merlet et al.   ELECTROCHIMICA ACTA

The simplest model of charge storage in single file metallic nanopores

(2013) Alexei A. Kornyshev   FARADAY DISCUSSIONS

Capacitance enhancement via electrode patterning

(2013) Tuan A. Ho et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of Adsorption Processes at Metallic Interfaces: An Image Charge Augmented QM/MM Approach

(2013) Dorothea Golze et al.   Journal of Chemical Theory and Computation

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

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

Double Layer at [BuMeIm][Tf2N] Ionic Liquid–Pt or −C Material Interfaces

(2013) Céline Cannes et al.   Journal of Physical Chemistry C

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

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

Computer simulations of ionic liquids at electrochemical interfaces

(2013) Céline Merlet et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly confined ions store charge more efficiently in supercapacitors

(2013) C. Merlet et al.   Nature Communications

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

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

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

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

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

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

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

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

New insights into the interface between a single-crystalline metal electrode and an extremely pure ionic liquid: slow interfacial processes and the influence of temperature on interfacial dynamics

(2012) Marcel Drüschler et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

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

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

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

Charge-transfer model for carbonaceous electrodes in polar environments

(2011) Lars Pastewka et al.   PHYSICAL REVIEW B

Potential-Induced Ordering Transition of the Adsorbed Layer at the Ionic Liquid/Electrified Metal Interface

(2010) Sami Tazi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Superionic state in double-layer capacitors with nanoporous electrodes

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

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

Structure and dynamics of electrical double layers in organic electrolytes

(2010) Guang Feng 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

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulations of atomically flat and nanoporous electrodes with a molten salt electrolyte

(2009) Jenel Vatamanu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The electrical double layer at the [BMIM][PF6] ionic liquid/electrode interface – Effect of temperature on the differential capacitance

(2008) Fernando Silva et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

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

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

Microelectrode Study of Pore Size, Ion Size, and Solvent Effects on the Charge/Discharge Behavior of Microporous Carbons for Electrical Double-Layer Capacitors

(2008) R. Lin et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Materials for electrochemical capacitors

(2008) Patrice Simon et al.   NATURE MATERIALS

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

(2007) Keith B. Oldham   JOURNAL OF ELECTROANALYTICAL CHEMISTRY