Computational Insights into Materials and Interfaces for Capacitive Energy Storage

Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement

(2017) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen functionalisation of transition metal dichalcogenide monolayers from first principles

(2017) Wilberth Narvaez et al.   MOLECULAR SIMULATION

Non-scaling behavior of electroosmotic flow in voltage-gated nanopores

(2017) Cheng Lian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy

(2017) Alexander C. Forse et al.   Nature Energy

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

High-Capacitance Mechanism for Ti3C2Tx MXene by in Situ Electrochemical Raman Spectroscopy Investigation

(2016) Minmin Hu et al.   ACS Nano

The Origin of Improved Electrical Double-Layer Capacitance by Inclusion of Topological Defects and Dopants in Graphene for Supercapacitors

(2016) Jiafeng Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

(2016) Michael Ashton et al.   APPLIED PHYSICS LETTERS

Characteristic features of water dynamics in restricted geometries investigated with quasi-elastic neutron scattering

(2016) N.C. Osti et al.   CHEMICAL PHYSICS

Computational Insight into the Covalent Organic–Inorganic Interface

(2016) Qing Tang et al.   CHEMISTRY OF MATERIALS

Electrochemical and in-situ X-ray diffraction studies of Ti 3 C 2 T x MXene in ionic liquid electrolyte

(2016) Zifeng Lin et al.   ELECTROCHEMISTRY COMMUNICATIONS

Understanding the different (dis)charging steps of supercapacitors: influence of potential and solvation

(2016) C. Pean et al.   ELECTROCHIMICA ACTA

Pseudocapacitance and excellent cyclability of 2,5-dimethoxy-1,4-benzoquinone on graphene

(2016) Muhammad Boota et al.   Energy & Environmental Science

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

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

Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids

(2016) Cheng Lian et al.   JOURNAL OF CHEMICAL PHYSICS

First-Principles United Atom Force Field for the Ionic Liquid BMIM+BF4–: An Alternative to Charge Scaling

(2016) Chang Yun Son et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Atomic-Scale Analysis of the RuO2/Water Interface under Electrochemical Conditions

(2016) Eriko Watanabe et al.   Journal of Physical Chemistry C

Charging Rate Dependence of Ion Migration and Stagnation in Ionic-Liquid-Filled Carbon Nanopores

(2016) Alexander J. Pak et al.   Journal of Physical Chemistry C

A Generic Model for Electric Double Layers in Porous Electrodes

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

Boosting the Performance of Ionic-Liquid-Based Supercapacitors with Polar Additives

(2016) Kun Liu et al.   Journal of Physical Chemistry C

Solvent Polarity Governs Ion Interactions and Transport in a Solvated Room-Temperature Ionic Liquid

(2016) Naresh C. Osti et al.   Journal of Physical Chemistry Letters

Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes

(2016) Cheng Zhan et al.   Journal of Physical Chemistry Letters

First-principles thermal modeling of hybrid pseudocapacitors under galvanostatic cycling

(2016) Anna L. d’Entremont et al.   JOURNAL OF POWER SOURCES

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

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

Multi-scale modelling of supercapacitors: From molecular simulations to a transmission line model

(2016) C. Pean et al.   JOURNAL OF POWER SOURCES

Insights into the effects of solvent properties in graphene based electric double-layer capacitors with organic electrolytes

(2016) Shuo Zhang 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

Impurity effects on ionic-liquid-based supercapacitors

(2016) Kun Liu et al.   MOLECULAR PHYSICS

Experimental realization of two-dimensional boron sheets

(2016) Baojie Feng et al.   Nature Chemistry

Evaluating the solid electrolyte interphase formed on silicon electrodes: a comparison of ex situ X-ray photoelectron spectroscopy and in situ neutron reflectometry

(2016) T. M. Fears et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probing the electrochemical capacitance of MXene nanosheets for high-performance pseudocapacitors

(2016) Xiao Ji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhancing graphene capacitance by nitrogen: effects of doping configuration and concentration

(2016) Cheng Zhan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multidimensional materials and device architectures for future hybrid energy storage

(2016) Maria R. Lukatskaya et al.   Nature Communications

Mechanism of Hydrogen Evolution Reaction on 1T-MoS2 from First Principles

(2016) Qing Tang et al.   ACS Catalysis

Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy

(2016) Jennifer M. Black et al.   Scientific Reports

Enhancing the Capacitive Performance of Electric Double-Layer Capacitors with Ionic Liquid Mixtures

(2016) C. Lian et al.   ACS Energy Letters

Boron Supercapacitors

(2016) Cheng Zhan et al.   ACS Energy Letters

Pressing a spring: what does it take to maximize the energy storage in nanoporous supercapacitors?

(2016) Svyatoslav Kondrat et al.   Nanoscale Horizons

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

(2015) Jenel Vatamanu et al.   ACS Nano

Pseudocapacitive Electrodes Produced by Oxidant-Free Polymerization of Pyrrole between the Layers of 2D Titanium Carbide (MXene)

(2015) Muhammad Boota et al.   ADVANCED MATERIALS

Formulation of Ionic-Liquid Electrolyte To Expand the Voltage Window of Supercapacitors

(2015) Katherine L. Van Aken et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A review of electrolyte materials and compositions for electrochemical supercapacitors

(2015) Cheng Zhong et al.   CHEMICAL SOCIETY REVIEWS

Two-dimensional transition metal dichalcogenide (TMD) nanosheets

(2015) Manish Chhowalla et al.   CHEMICAL SOCIETY REVIEWS

Stability and Core-Level Signature of Nitrogen Dopants in Carbonaceous Materials

(2015) Ziqi Tian et al.   CHEMISTRY OF MATERIALS

Stabilization and Band-Gap Tuning of the 1T-MoS2 Monolayer by Covalent Functionalization

(2015) Qing Tang et al.   CHEMISTRY OF MATERIALS

Structural ordering transitions in ionic liquids mixtures

(2015) Renata Costa et al.   ELECTROCHEMISTRY COMMUNICATIONS

Dissecting graphene capacitance in electrochemical cell

(2015) Sheng Sun et al.   ELECTROCHIMICA ACTA

Enhancing Faradaic Charge Storage Contribution in Hybrid Pseudocapacitors

(2015) Henri-Louis Girard 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

Spicing up continuum solvation models with SaLSA: The spherically averaged liquid susceptibility ansatz

(2015) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

On the influence of polarization effects in predicting the interfacial structure and capacitance of graphene-like electrodes in ionic liquids

(2015) Eunsu Paek et al.   JOURNAL OF CHEMICAL PHYSICS

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

(2015) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Ionic liquids at charged surfaces: Insight from molecular simulations

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

Intrinsic Charge Storage Capability of Transition Metal Dichalcogenides as Pseudocapacitor Electrodes

(2015) Xin Cong et al.   Journal of Physical Chemistry C

Physical Interpretation of Cyclic Voltammetry for Hybrid Pseudocapacitors

(2015) Henri-Louis Girard et al.   Journal of Physical Chemistry C

Capacitance Optimization in Nanoscale Electrochemical Supercapacitors

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

Quantum Capacitance of Aryldiazonium Modified Large Area Few-Layer Graphene Electrodes

(2015) Paula A. Brooksby et al.   Journal of Physical Chemistry C

First-Principles Calculation of Quantum Capacitance of Codoped Graphenes as Supercapacitor Electrodes

(2015) Morteza Mousavi-Khoshdel et al.   Journal of Physical Chemistry C

Complementary Effects of Pore Accessibility and Decoordination on the Capacitance of Nanoporous Carbon Electrochemical Supercapacitors

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

Quantum Effects on the Capacitance of Graphene-Based Electrodes

(2015) Cheng Zhan 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

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

Nitrogen Doping Enables Covalent-Like π–π Bonding between Graphenes

(2015) Yong-Hui Tian et al.   NANO LETTERS

High Performance Pseudocapacitor Based on 2D Layered Metal Chalcogenide Nanocrystals

(2015) Guillaume A. Muller et al.   NANO LETTERS

Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials

(2015) Muharrem Acerce et al.   Nature Nanotechnology

Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study

(2015) Dietmar Paschek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields

(2015) Mathieu Salanne   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations

(2015) Maxwell D. Radin et al.   PHYSICAL REVIEW B

Pseudocapacitance of MXene nanosheets for high-power sodium-ion hybrid capacitors

(2015) Xianfen Wang et al.   Nature Communications

Electrochemical Characterization of Iodide Ions Adsorption Kinetics at Bi(111) Electrode from Three-Component Ionic Liquids Mixtures

(2015) C. Siimenson et al.   ECS Electrochemistry Letters

Topological defects in electric double layers of ionic liquids at carbon interfaces

(2015) Jennifer M. Black et al.   Nano Energy

Electrochemical Characterization of Liquid Phase Exfoliated Two-Dimensional Layers of Molybdenum Disulfide

(2014) Andrew Winchester et al.   ACS Applied Materials & Interfaces

Large Capacitance Enhancement Induced by Metal-Doping in Graphene-Based Supercapacitors: A First-Principles-Based Assessment

(2014) Eunsu Paek et al.   ACS Applied Materials & Interfaces

Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries

(2014) Yu Xie et al.   ACS Nano

On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

(2014) Clarisse Péan et al.   ACS Nano

Single-Layered Ultrasmall Nanoplates of MoS2Embedded in Carbon Nanofibers with Excellent Electrochemical Performance for Lithium and Sodium Storage

(2014) Changbao Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

(2014) Zongzhi Hu et al.   ELECTROCHIMICA ACTA

Pseudocapacitive oxide materials for high-rate electrochemical energy storage

(2014) Veronica Augustyn et al.   Energy & Environmental Science

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

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

Interaction of Magnesium Ions with Pristine Single-Layer and Defected Graphene/Water Interfaces Studied by Second Harmonic Generation

(2014) Jennifer L. Achtyl et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Interactions of Organic Solvents at Graphene/α-Al2O3 and Graphene Oxide/α-Al2O3 Interfaces Studied by Sum Frequency Generation

(2014) Jennifer L. Achtyl et al.   Journal of Physical Chemistry C

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

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

Spatial Structure of Electrical Diffuse Layers in Highly Concentrated Electrolytes: A Modified Poisson–Nernst–Planck Approach

(2014) Arik Yochelis   Journal of Physical Chemistry C

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

The Electric Double Layer Has a Life of Its Own

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

First-Principles, Physically Motivated Force Field for the Ionic Liquid [BMIM][BF4]

(2014) Eunsong Choi et al.   Journal of Physical Chemistry Letters

Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study

(2014) Yadong He et al.   Journal of Physical Chemistry Letters

Kinetic Charging Inversion in Ionic Liquid Electric Double Layers

(2014) Jian Jiang et al.   Journal of Physical Chemistry Letters

Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials

(2014) Christopher Eames et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides

(2014) Yu Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Modeling Swelling Behavior of Thermoresponsive Polymer Brush with Lattice Density Functional Theory

(2014) Cheng Lian et al.   LANGMUIR

Substrate Effect on the Phase Behavior of Polymer Brushes with Lattice Density Functional Theory

(2014) Cheng Lian et al.   MACROMOLECULAR THEORY AND SIMULATIONS

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

Effect of Wrinkles on the Surface Area of Graphene: Toward the Design of Nanoelectronics

(2014) Zhao Qin 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

Charging dynamics of supercapacitors with narrow cylindrical nanopores

(2014) Alpha A Lee et al.   NANOTECHNOLOGY

Accelerating charging dynamics in subnanometre pores

(2014) Svyatoslav Kondrat et al.   NATURE MATERIALS

Single-File Charge Storage in Conducting Nanopores

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

Strain-Based In Situ Study of Anion and Cation Insertion into Porous Carbon Electrodes with Different Pore Sizes

(2014) Jennifer M. Black et al.   Advanced Energy Materials

Layered transition metal dichalcogenides for electrochemical energy generation and storage

(2014) Martin Pumera et al.   Journal of Materials Chemistry A

In Situ Solid-State NMR Spectroscopy of Electrochemical Cells: Batteries, Supercapacitors, and Fuel Cells

(2013) Frédéric Blanc et al.   ACCOUNTS OF CHEMICAL RESEARCH

Tailoring the performance of graphene-based supercapacitors using topological defects: A theoretical assessment

(2013) Alexander J. Pak et al.   CARBON

Densification of Ionic Liquid Molecules within a Hierarchical Nanoporous Carbon Structure Revealed by Small-Angle Scattering and Molecular Dynamics Simulation

(2013) José Leobardo Bañuelos et al.   CHEMISTRY OF MATERIALS

Density functional theory methods for characterization of porous materials

(2013) John Landers et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

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

(2013) Céline Merlet et al.   ELECTROCHIMICA ACTA

Curvature Effects on the Interfacial Capacitance of Carbon Nanotubes in an Ionic Liquid

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

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

First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes

(2013) Brandon C. Wood et al.   Journal of Physical Chemistry C

Structural Origins of Potential Dependent Hysteresis at the Electrified Graphene/Ionic Liquid Interface

(2013) Ahmet Uysal 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

Charging Dynamics and Optimization of Nanoporous Supercapacitors

(2013) S. Kondrat 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

Dynamic and Structural Properties of Room-Temperature Ionic Liquids near Silica and Carbon Surfaces

(2013) Song Li et al.   LANGMUIR

The importance of nonlinear fluid response in joint density-functional theory studies of battery systems

(2013) Deniz Gunceler et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

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

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

Electric-Field Dependence of the Effective Dielectric Constant in Graphene

(2013) Elton J. G. Santos et al.   NANO LETTERS

Exploring electrolyte organization in supercapacitor electrodes with solid-state NMR

(2013) Michaël Deschamps et al.   NATURE MATERIALS

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

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

Highly confined ions store charge more efficiently in supercapacitors

(2013) C. Merlet et al.   Nature Communications

Electric double-layer capacitance between an ionic liquid and few-layer graphene

(2013) Eri Uesugi et al.   Scientific Reports

Important roles of graphene edges in carbon-based energy storage devices

(2013) Yoong Ahm Kim et al.   Journal of Energy Chemistry

Redox Deposition of Nanoscale Metal Oxides on Carbon for Next-Generation Electrochemical Capacitors

(2012) Megan B. Sassin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electrochemistry at the Edge of a Single Graphene Layer in a Nanopore

(2012) Shouvik Banerjee et al.   ACS Nano

Two-Dimensional Boron Monolayer Sheets

(2012) Xiaojun Wu et al.   ACS Nano

Flexible solid-state paper based carbon nanotube supercapacitor

(2012) Shan Hu et al.   APPLIED PHYSICS LETTERS

Chemical activation of carbon nano-onions for high-rate supercapacitor electrodes

(2012) Yang Gao et al.   CARBON

Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance

(2012) Yasunobu Ando et al.   CHEMICAL PHYSICS LETTERS

Edge-Enriched, Porous Carbon-Based, High Energy Density Supercapacitors for Hybrid Electric Vehicles

(2012) Yong Jung Kim et al.   ChemSusChem

Influence of metal oxide nanoparticles on pseudocapacitive behavior of wet-spun polyaniline-multiwall carbon nanotube fibers

(2012) A. Mirmohseni et al.   ELECTROCHIMICA ACTA

Nitrogen doping of graphene and its effect on quantum capacitance, and a new insight on the enhanced capacitance of N-doped carbon

(2012) Li Li Zhang 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

Application of Density Functional Theory To Study the Double Layer of an Electrolyte with an Explicit Dimer Model for the Solvent

(2012) Douglas Henderson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Simple AIMD Approach to Derive Atomic Charges for Condensed Phase Simulation of Ionic Liquids

(2012) Yong Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Physicochemical Properties of Binary Ionic Liquid–Aprotic Solvent Electrolyte Mixtures

(2012) Eric T. Fox 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

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

(2012) Céline Merlet 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

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

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

A Computational Study of the Interfacial Structure and Capacitance of Graphene in [BMIM][PF6] Ionic Liquid

(2012) Eunsu Paek et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Polymorphism of Two-Dimensional Boron

(2012) Evgeni S. Penev et al.   NANO LETTERS

On the molecular origin of supercapacitance in nanoporous carbon electrodes

(2012) Céline Merlet et al.   NATURE MATERIALS

Ionic liquids in confined geometries

(2012) Susan Perkin   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparing reduced partial charge models with polarizable simulations of ionic liquids

(2012) Christian Schröder   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge

(2012) Kendra Letchworth-Weaver et al.   PHYSICAL REVIEW B

CL&P: A generic and systematic force field for ionic liquids modeling

(2012) José N. Canongia Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Outstanding performance of activated graphene based supercapacitors in ionic liquid electrolyte from −50 to 80°C

(2012) Wan-Yu Tsai et al.   Nano Energy

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores

(2011) Peng Wu et al.   ACS Nano

Direct Mapping of Ionic Transport in a Si Anode on the Nanoscale: Time Domain Electrochemical Strain Spectroscopy Study

(2011) Stephen Jesse et al.   ACS Nano

Carbon Materials for Chemical Capacitive Energy Storage

(2011) Yunpu Zhai et al.   ADVANCED MATERIALS

Measurements and microscopic model of quantum capacitance in graphene

(2011) Huilong Xu et al.   APPLIED PHYSICS LETTERS

Interfacial capacitance of single layer graphene

(2011) Meryl D. Stoller et al.   Energy & Environmental Science

Quasielastic neutron scattering study of water confined in carbon nanopores

(2011) S. M. Chathoth et al.   EPL

Self-consistent equations governing the dynamics of nonequilibrium colloidal systems

(2011) Shuang-Liang Zhao et al.   JOURNAL OF 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

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

(2011) Yongduo Liu 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

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

Alkyl Chain Length and Temperature Effects on Structural Properties of Pyrrolidinium-Based Ionic Liquids: A Combined Atomistic Simulation and Small-Angle X-ray Scattering Study

(2011) Song Li et al.   Journal of Physical Chemistry Letters

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size

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

Capacitive Energy Storage from −50 to 100 °C Using an Ionic Liquid Electrolyte

(2011) Rongying Lin et al.   Journal of Physical Chemistry Letters

Metallic Few-Layered VS2Ultrathin Nanosheets: High Two-Dimensional Conductivity for In-Plane Supercapacitors

(2011) Jun Feng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Virtual Electrochemical Strain Microscopy of Polycrystalline LiCoO2 Films

(2011) Ding-Wen Chung et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Atomistic models for disordered nanoporous carbons using reactive force fields

(2011) Jeremy C. Palmer et al.   MICROPOROUS AND MESOPOROUS MATERIALS

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

A new force field model for the simulation of transport properties of imidazolium-based ionic liquids

(2011) Vitaly V. Chaban et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polarizability versus mobility: atomistic force field for ionic liquids

(2011) Vitaly Chaban   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

Accounting for electronic polarization in non-polarizable force fields

(2011) Igor Leontyev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge-transfer model for carbonaceous electrodes in polar environments

(2011) Lars Pastewka et al.   PHYSICAL REVIEW B

Carbon-Based Supercapacitors Produced by Activation of Graphene

(2011) Y. Zhu et al.   SCIENCE

True Performance Metrics in Electrochemical Energy Storage

(2011) Y. Gogotsi et al.   SCIENCE

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

(2010) Guang Feng et al.   ACS Nano

Local probing of ionic diffusion by electrochemical strain microscopy: Spatial resolution and signal formation mechanisms

(2010) A. N. Morozovska et al.   JOURNAL OF APPLIED PHYSICS

Simulating polarizable molecular ionic liquids with Drude oscillators

(2010) Christian Schröder et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of diffuse layer and pore shapes in mesoporous carbon supercapacitors

(2010) Jingsong Huang et al.   JOURNAL OF MATERIALS RESEARCH

Curvature effects in carbon nanomaterials: Exohedral versus endohedral supercapacitors

(2010) Jingsong Huang et al.   JOURNAL OF MATERIALS RESEARCH

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

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

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

Graphene-Based Supercapacitor with an Ultrahigh Energy Density

(2010) Chenguang Liu et al.   NANO LETTERS

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

(2010) David Pech et al.   Nature Nanotechnology

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

First-principles study of boron sheets and nanotubes

(2010) Hui Tang et al.   PHYSICAL REVIEW B

Density of States and Zero Landau Level Probed through Capacitance of Graphene

(2010) L. A. Ponomarenko et al.   PHYSICAL REVIEW LETTERS

Monolithic Carbide-Derived Carbon Films for Micro-Supercapacitors

(2010) J. Chmiola et al.   SCIENCE

Stretchable Supercapacitors Based on Buckled Single-Walled Carbon-Nanotube Macrofilms

(2009) Cunjiang Yu et al.   ADVANCED MATERIALS

Detailed structural models for activated carbons from molecular simulation

(2009) J.C. Palmer et al.   CARBON

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

Dynamical density functional theory for molecular and colloidal fluids: A microscopic approach to fluid mechanics

(2009) A. J. Archer   JOURNAL OF CHEMICAL PHYSICS

Binary mixtures of ionic liquids with a common ion revisited: A molecular dynamics simulation study

(2009) Karina Shimizu et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Measurement of the quantum capacitance of graphene

(2009) Jilin Xia et al.   Nature Nanotechnology

Desolvation of Ions in Subnanometer Pores and Its Effect on Capacitance and Double-Layer Theory

(2008) John Chmiola et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Modelling room temperature ionic liquids

(2008) B. L. Bhargava et al.   CHEMICAL COMMUNICATIONS

A mimetic porous carbon model by quench molecular dynamics simulation

(2008) Yunfeng Shi   JOURNAL OF CHEMICAL PHYSICS

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

Graphene-Based Ultracapacitors

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

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

3D Aperiodic Hierarchical Porous Graphitic Carbon Material for High-Rate Electrochemical Capacitive Energy Storage

(2007) Da-Wei Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION