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

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

(2015) Jenel Vatamanu et al.   ACS Nano

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

Electrode Models for Ionic Liquid-Based Capacitors

(2015) Konrad Breitsprecher et al.   Journal of Physical Chemistry C

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

Structure and Energetics of Li+–(BF4–)n, Li+–(FSI–)n, and Li+–(TFSI–)n: Ab Initio and Polarizable Force Field Approaches

(2014) Charles W. Bauschlicher et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4]

(2014) Justin B. Haskins et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Electrical Double Layer of Dicationic Ionic Liquids at Onion-like Carbon Surface

(2014) Song Li et al.   Journal of Physical Chemistry C

The Electric Double Layer Has a Life of Its Own

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

Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes

(2014) Katherine L Van Aken et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A joint theoretical/experimental study of the structure, dynamics, and Li+ transport in bis([tri]fluoro[methane]sulfonyl)imide [T]FSI-based ionic liquids

(2013) C. J. F. Solano et al.   JOURNAL OF CHEMICAL PHYSICS

Bias-Dependent Molecular-Level Structure of Electrical Double Layer in Ionic Liquid on Graphite

(2013) Jennifer M. Black et al.   NANO LETTERS

Charge Fluctuations in Nanoscale Capacitors

(2013) David T. Limmer et al.   PHYSICAL REVIEW LETTERS

Li+ Solvation and Transport Properties in Ionic Liquid/Lithium Salt Mixtures: A Molecular Dynamics Simulation Study

(2012) Zhe Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

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

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

(2011) Tamás Pajkossy et al.   ELECTROCHEMISTRY COMMUNICATIONS

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

Graphene-Based Supercapacitors: A Computer Simulation Study

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

A Comparative Study of the Electrochemical Characteristics of [Emim+][BF4−] and [Bmim+][BF4−] Ionic Liquids at the Surfaces of Carbon Nanotube and Glassy Carbon Electrodes

(2011) Jianping Zheng 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

Oscillation of Capacitance inside Nanopores

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

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

(2010) Youngseon Shim et al.   ACS Nano

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

Atomistic Insight on the Charging Energetics in Subnanometer Pore Supercapacitors

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

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

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

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

Probing the electrochemical double layer of an ionic liquid using voltammetry and impedance spectroscopy: A comparative study of carbon nanotube and glassy carbon electrodes in [EMIM]+[EtSO4]−

(2010) J.P. Zheng et al.   TALANTA

The interface between Au(111) and an ionic liquid

(2009) M. Gnahm et al.   ELECTROCHIMICA ACTA

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

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

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

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

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