Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

Tricationic Ionic Liquids: Structural and Dynamical Properties via Molecular Dynamics Simulations

(2017) Elaheh Sedghamiz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interaction and Quantum Capacitance of Nitrogen/Sulfur Co-Doped Graphene: A Theoretical Calculation

(2017) Liangliang Chen et al.   Journal of Physical Chemistry C

Impurity Effects on Charging Mechanism and Energy Storage of Nanoporous Supercapacitors

(2017) Cheng Lian et al.   Journal of Physical Chemistry C

Fast Ion Transportation Associated with Recovering Hydration Shells in a Nanoelectrolyte between Conical Carbon Nanopores during Charging Cycles

(2017) Tomonori Ohba   Journal of Physical Chemistry C

Molecular Modeling of Microporous Structures of Carbide-Derived Carbon-Based Supercapacitors

(2017) Sabine Schweizer et al.   Journal of Physical Chemistry C

Kinetic-Dominated Charging Mechanism within Representative Aqueous Electrolyte-based Electric Double-Layer Capacitors

(2017) Huachao Yang et al.   Journal of Physical Chemistry Letters

Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability

(2017) Jenel Vatamanu et al.   Journal of Physical Chemistry Letters

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

(2017) Jenel Vatamanu et al.   MOLECULAR SIMULATION

The Influence of Anion Shape on the Electrical Double Layer Microstructure and Capacitance of Ionic Liquids-Based Supercapacitors by Molecular Simulations

(2017) Ming Chen et al.   MOLECULES

Effect of alkyl branches on the thermal stability of quaternary ammonium cations in organic electrolytes for electrochemical double layer capacitors

(2017) Yong Nam Ahn et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Temperature dependence of ion diffusion coefficients in NaCl electrolyte confined within graphene nanochannels

(2017) Jing Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Capacitive performance of amino acid ionic liquid electrolyte-based supercapacitors by molecular dynamics simulation

(2017) Mingbing Wu et al.   RSC Advances

Reliability of Constant Charge Method for Molecular Dynamics Simulations on EDLCs in Nanometer and Sub-Nanometer Spaces

(2017) Jinyuan Yang et al.   ChemElectroChem

Ion Storage in Nanoconfined Interstices Between Vertically Aligned Nanotubes in Electric Double-Layer Capacitors

(2017) Aniruddha Dive et al.   Journal of Electrochemical Energy Conversion and Storage

Molecular Insights into the Complex Relationship between Capacitance and Pore Morphology in Nanoporous Carbon-based Supercapacitors

(2016) Alexander J. Pak et al.   ACS Applied Materials & Interfaces

“Water-in-salt” electrolytes enable the use of cost-effective aluminum current collectors for aqueous high-voltage batteries

(2016) R.-S. Kühnel et al.   CHEMICAL COMMUNICATIONS

Thermodynamic and transport properties of spiro-(1,1')-bipyrrolidinium tetrafluoroborate and acetonitrile mixtures: A molecular dynamics study

(2016) Qing-Yin Zhang et al.   Chinese Physics B

Nano-confined ionic liquid [emim][PF6] between graphite sheets: A molecular dynamics study

(2016) Sirous Salemi et al.   JOURNAL OF MOLECULAR LIQUIDS

Tracing Dynamics, Self-Diffusion, and Nanoscale Structural Heterogeneity of Pure and Binary Mixtures of Ionic Liquid 1-Hexyl-2,3-dimethylimidazolium Bis(fluorosulfonyl)imide with Acetonitrile: Insights from Molecular Dynamics Simulations

(2016) Mohammad H. Kowsari et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Generic Model for Electric Double Layers in Porous Electrodes

(2016) Cheng Lian et al.   Journal of Physical Chemistry C

Molecular Origin of Electric Double-Layer Capacitance at Multilayer Graphene Edges

(2016) Huachao Yang et al.   Journal of Physical Chemistry Letters

Computer Simulation Study of Graphene Oxide Supercapacitors: Charge Screening Mechanism

(2016) Sang-Won Park et al.   Journal of Physical Chemistry Letters

Capacitance of Nanoporous Carbon-Based Supercapacitors Is a Trade-Off between the Concentration and the Separability of the Ions

(2016) Ryan Burt et al.   Journal of Physical Chemistry Letters

Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions

(2016) Betul Uralcan et al.   Journal of Physical Chemistry Letters

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

Edge effects in vertically-oriented graphene based electric double-layer capacitors

(2016) Huachao Yang et al.   JOURNAL OF POWER SOURCES

New Perspectives on the Charging Mechanisms of Supercapacitors

(2016) Alexander C. Forse et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dimensional tailoring of nitrogen-doped graphene for high performance supercapacitors

(2016) Seung Yong Lee et al.   RSC Advances

Solid-state NMR Study of Ion Adsorption and Charge Storage in Graphene Film Supercapacitor Electrodes

(2016) Kecheng Li et al.   Scientific Reports

Efficient storage mechanisms for building better supercapacitors

(2016) M. Salanne et al.   Nature Energy

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

(2015) Jenel Vatamanu et al.   ACS Nano

Characterization of a zeolite-templated carbon by electrochemical quartz crystal microbalance and in situ Raman spectroscopy

(2015) S. Leyva-García et al.   CARBON

Electrochemical double layer near polar reduced graphene oxide electrode: Insights from molecular dynamic study

(2015) Kui Xu et al.   ELECTROCHIMICA ACTA

Effects of anion on the electric double layer of imidazolium-based ionic liquids on graphite electrode by molecular dynamics simulation

(2015) Xiaohong Liu et al.   ELECTROCHIMICA ACTA

Supercapacitor electrode materials: nanostructures from 0 to 3 dimensions

(2015) Zenan Yu et al.   Energy & Environmental Science

Capacitance Optimization in Nanoscale Electrochemical Supercapacitors

(2015) Srinivasa Rao Varanasi et al.   Journal of Physical Chemistry C

Confinement, Desolvation, And Electrosorption Effects on the Diffusion of Ions in Nanoporous Carbon Electrodes

(2015) Clarisse Pean et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2015) Jenel Vatamanu et al.   NANOTECHNOLOGY

In situ NMR and electrochemical quartz crystal microbalance techniques reveal the structure of the electrical double layer in supercapacitors

(2015) John M. Griffin et al.   NATURE MATERIALS

Molecular Insights into Aqueous NaCl Electrolytes Confined within Vertically-oriented Graphenes

(2015) Zheng Bo et al.   Scientific Reports

On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

(2014) Clarisse Péan et al.   ACS Nano

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

(2014) Zongzhi Hu et al.   ELECTROCHIMICA ACTA

Comparative performance of birnessite-type MnO2 nanoplates and octahedral molecular sieve (OMS-5) nanobelts of manganese dioxide as electrode materials for supercapacitor application

(2014) Xiong Zhang et al.   ELECTROCHIMICA ACTA

Ionic Liquids Confined in a Realistic Activated Carbon Model: A Molecular Simulation Study

(2014) Nav Nidhi Rajput et al.   Journal of Physical Chemistry C

Impact of Graphene Edges on Enhancing the Performance of Electrochemical Double Layer Capacitors

(2014) Alexander J. Pak et al.   Journal of Physical Chemistry C

Graphene Oxide Supercapacitors: A Computer Simulation Study

(2014) Andrew D. DeYoung et al.   Journal of Physical Chemistry C

Effects of Oxygen-Containing Functional Groups on Supercapacitor Performance

(2014) Sebastien Kerisit et al.   Journal of Physical Chemistry Letters

Interfaces of dicationic ionic liquids and graphene: a molecular dynamics simulation study

(2014) Song Li et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electrochemical Quartz Crystal Microbalance (EQCM) Study of Ion Dynamics in Nanoporous Carbons

(2014) Wan-Yu Tsai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Anomalous Capacitive Behaviors of Graphene Oxide Based Solid-State Supercapacitors

(2014) Qing Zhang et al.   NANO LETTERS

Unusual effects of solvent polarity on capacitance for organic electrolytes in a nanoporous electrode

(2014) De-en Jiang et al.   Nanoscale

Accelerating charging dynamics in subnanometre pores

(2014) Svyatoslav Kondrat et al.   NATURE MATERIALS

The role of graphene for electrochemical energy storage

(2014) Rinaldo Raccichini et al.   NATURE MATERIALS

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

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

Phonon thermal conductivity of monolayer MoS2 sheet and nanoribbons

(2013) Xiangjun Liu et al.   APPLIED PHYSICS LETTERS

Molecular dynamics simulations of single-layer molybdenum disulphide (MoS2): Stillinger-Weber parametrization, mechanical properties, and thermal conductivity

(2013) Jin-Wu Jiang et al.   JOURNAL OF APPLIED PHYSICS

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

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

On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-Doped Graphene

(2013) Eunsu Paek et al.   Journal of Physical Chemistry C

Graphene Materials for Electrochemical Capacitors

(2013) Ji Chen et al.   Journal of Physical Chemistry Letters

Nuclear magnetic resonance study of ion adsorption on microporous carbide-derived carbon

(2013) Alexander C. Forse et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Highly confined ions store charge more efficiently in supercapacitors

(2013) C. Merlet et al.   Nature Communications

The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

(2013) Wenjing Yuan et al.   Scientific Reports

Carbon/carbon supercapacitors

(2013) Elzbieta Frackowiak et al.   Journal of Energy Chemistry

Review of nanostructured carbon materials for electrochemical capacitor applications: advantages and limitations of activated carbon, carbide-derived carbon, zeolite-templated carbon, carbon aerogels, carbon nanotubes, onion-like carbon, and graphene

(2013) Wentian Gu et al.   Wiley Interdisciplinary Reviews-Energy and Environment

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

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

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

Voltage Dependent Charge Storage Modes and Capacity in Subnanometer Pores

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

Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor

(2012) De-en Jiang et al.   Journal of Physical Chemistry Letters

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Graphene oxide and its reduction: modeling and experimental progress

(2012) Shun Mao et al.   RSC Advances

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores

(2011) Peng Wu et al.   ACS Nano

Carbide-Derived Carbons - From Porous Networks to Nanotubes and Graphene

(2011) Volker Presser et al.   ADVANCED FUNCTIONAL MATERIALS

Carbon Materials for Chemical Capacitive Energy Storage

(2011) Yunpu Zhai et al.   ADVANCED MATERIALS

A review of electrode materials for electrochemical supercapacitors

(2011) Guoping Wang et al.   CHEMICAL SOCIETY REVIEWS

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

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

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

Real-Time NMR Studies of Electrochemical Double-Layer Capacitors

(2011) Hao Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oscillation of Capacitance inside Nanopores

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

Nitrogen-Doped Graphene for High-Performance Ultracapacitors and the Importance of Nitrogen-Doped Sites at Basal Planes

(2011) Hyung Mo Jeong et al.   NANO LETTERS

Double Layer in Ionic Liquids: Overscreening versus Crowding

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

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

Advanced Materials for Energy Storage

(2010) Chang Liu et al.   ADVANCED MATERIALS

Nanostructured Carbon and Carbon Nanocomposites for Electrochemical Energy Storage Applications

(2010) Dang Sheng Su  et al.   ChemSusChem

Graphene-based materials as supercapacitor electrodes

(2010) Li Li Zhang et al.   JOURNAL OF MATERIALS CHEMISTRY

Electrochemical Quartz Crystal Microbalance (EQCM) Studies of Ions and Solvents Insertion into Highly Porous Activated Carbons

(2010) Mikhael D. Levi 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

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

(2010) David Pech et al.   Nature Nanotechnology

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

Graphene Double-Layer Capacitor with ac Line-Filtering Performance

(2010) J. R. Miller et al.   SCIENCE

Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid

(2009) Youngseon Shim et al.   ACS Nano

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

(2009) J.C. Palmer et al.   CARBON

Carbon-based materials as supercapacitor electrodes

(2009) Li Li Zhang et al.   CHEMICAL SOCIETY REVIEWS

Progress of electrochemical capacitor electrode materials: A review

(2009) Yong Zhang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Unique Hydrogen-Bonded Structure of Water around Ca Ions Confined in Carbon Slit Pores

(2009) Tomonori Ohba et al.   Journal of Physical Chemistry C

Structural Evidence for the Ordered Crystallites of Ionic Liquid in Confined Carbon Nanotubes

(2009) Kun Dong 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

Application of a quartz-crystal microbalance to measure ionic fluxes in microporous carbons for energy storage

(2009) Mikhael D. Levi et al.   NATURE MATERIALS

Measurement of the quantum capacitance of graphene

(2009) Jilin Xia et al.   Nature Nanotechnology

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Uniform Diffusion of Acetonitrile inside Carbon Nanotubes Favors Supercapacitor Performance

(2008) Oleg N. Kalugin et al.   NANO LETTERS

Graphene-Based Ultracapacitors

(2008) Meryl D. Stoller et al.   NANO LETTERS

Materials for electrochemical capacitors

(2008) Patrice Simon et al.   NATURE MATERIALS

MATERIALS SCIENCE: Electrochemical Capacitors for Energy Management

(2008) J. R. Miller et al.   SCIENCE

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE