Understanding the pseudocapacitance of RuO 2 from joint density functional theory

Zhan, Cheng; Jiang, De-en

doi:10.1088/0953-8984/28/46/464004

Title: Understanding the pseudocapacitance of RuO ₂ from joint density functional theory

Authors:: Zhan, Cheng; Jiang, De-en

Publication Date:: Wed Sep 14 00:00:00 EDT 2016

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1324474

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Physics. Condensed Matter

Additional Journal Information:: Journal Name: Journal of Physics. Condensed Matter Journal Volume: 28 Journal Issue: 46; Journal ID: ISSN 0953-8984

Publisher:: IOP Publishing

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Zhan, Cheng, and Jiang, De-en. Understanding the pseudocapacitance of RuO 2 from joint density functional theory.  United Kingdom: N. p., 2016. 
Web.  doi:10.1088/0953-8984/28/46/464004.

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                    Zhan, Cheng, & Jiang, De-en. Understanding the pseudocapacitance of RuO 2 from joint density functional theory.  United Kingdom.  https://doi.org/10.1088/0953-8984/28/46/464004

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                    Zhan, Cheng, and Jiang, De-en. Wed .  
"Understanding the pseudocapacitance of RuO 2 from joint density functional theory".  United Kingdom.  https://doi.org/10.1088/0953-8984/28/46/464004.

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@article{osti_1324474,

  title        = {Understanding the pseudocapacitance of RuO 2 from joint density functional theory},

  author       = {Zhan, Cheng and Jiang, De-en},

  abstractNote = {},

  doi          = {10.1088/0953-8984/28/46/464004},

  journal      = {Journal of Physics. Condensed Matter},

  number       = 46,

  volume       = 28,

  place        = {United Kingdom},

  year         = {Wed Sep 14 00:00:00 EDT 2016},

  month        = {Wed Sep 14 00:00:00 EDT 2016}

}

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Title: Understanding the pseudocapacitance of RuO 2 from joint density functional theory

Citation Formats

Origin of the dielectric dead layer in nanoscale capacitors journal, October 2006

Generalized Gradient Approximation Made Simple journal, October 1996

Nanoscale Dielectric Capacitors Composed of Graphene and Boron Nitride Layers: A First-Principles Study of High Capacitance at Nanoscale journal, July 2013

On the charge storage mechanism at RuO2/0.5 M H2SO4 interface journal, December 2007

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Towards Implantable Bio-Supercapacitors: Pseudocapacitance of Ruthenium Oxide Nanoparticles and Nanosheets in Acids, Buffered Solutions, and Bioelectrolytes journal, January 2015

Dissecting graphene capacitance in electrochemical cell journal, May 2015

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Visualization of Atomic Processes on Ruthenium Dioxide using Scanning Tunneling Microscopy journal, February 2004

Multifunctional 3D nanoarchitectures for energy storage and conversion journal, January 2009

Where Do Batteries End and Supercapacitors Begin? journal, March 2014

Interfacial ionic ‘liquids’: connecting static and dynamic structures journal, December 2014

Incorporation of Homogeneous, Nanoscale MnO 2 within Ultraporous Carbon Structures via Self-Limiting Electroless Deposition: Implications for Electrochemical Capacitors journal, February 2007

Redox Deposition of Nanoscale Metal Oxides on Carbon for Next-Generation Electrochemical Capacitors journal, March 2012

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Ruthenia-Based Electrochemical Supercapacitors: Insights from First-Principles Calculations journal, June 2012

Physical electrochemistry of ceramic oxides journal, January 1991

Atomic-Scale Analysis of the RuO 2 /Water Interface under Electrochemical Conditions journal, April 2016

High-performance planar nanoscale dielectric capacitors journal, May 2015

Ultracapacitors: why, how, and where is the technology journal, November 2000

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Influence of metal oxide nanoparticles on pseudocapacitive behavior of wet-spun polyaniline-multiwall carbon nanotube fibers journal, May 2012

The Potential of Zero Charge of Oriented Single-Crystal RuO[sub 2] in Aqueous Electrolytes journal, January 1983

True Performance Metrics in Electrochemical Energy Storage journal, November 2011

Graphene-Based Ultracapacitors journal, October 2008

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Carbon-based materials as supercapacitor electrodes journal, January 2009

Templated Nanocrystal-Based Porous TiO2 Films for Next-Generation Electrochemical Capacitors journal, February 2009

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Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes journal, February 2016

Ordered mesoporous α-MoO3 with iso-oriented nanocrystalline walls for thin-film pseudocapacitors journal, January 2010

Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes journal, October 2010

Characterization of hydrous ruthenium oxide/carbon nanocomposite supercapacitors prepared by a colloidal method journal, January 2002

Pseudocapacitive Contributions to Electrochemical Energy Storage in TiO2 (Anatase) Nanoparticles journal, October 2007

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Boron Nitride–Graphene Nanocapacitor and the Origins of Anomalous Size-Dependent Increase of Capacitance journal, March 2014

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Transition from “Supercapacitor” to “Battery” Behavior in Electrochemical Energy Storage journal, January 1991

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size journal, October 2011

Voltammetric Characterization of Ruthenium Oxide-Based Aerogels and Other RuO 2 Solids: The Nature of Capacitance in Nanostructured Materials journal, February 1999

Double Layer in Ionic Liquids: Overscreening versus Crowding journal, January 2011

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge journal, August 2012

Charge storage mechanism of nanostructured anhydrous and hydrous ruthenium-based oxides journal, December 2006

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Title: Understanding the pseudocapacitance of RuO ₂ from joint density functional theory

Origin of the dielectric dead layer in nanoscale capacitors
journal, October 2006

Generalized Gradient Approximation Made Simple
journal, October 1996

Nanoscale Dielectric Capacitors Composed of Graphene and Boron Nitride Layers: A First-Principles Study of High Capacitance at Nanoscale
journal, July 2013

On the charge storage mechanism at RuO2/0.5 M H2SO4 interface
journal, December 2007

Ab Initio Study of the Charge-Storage Mechanisms in RuO ₂ -Based Electrochemical Ultracapacitors
journal, December 2011

Pseudocapacitive oxide materials for high-rate electrochemical energy storage
journal, January 2014

Towards Implantable Bio-Supercapacitors: Pseudocapacitance of Ruthenium Oxide Nanoparticles and Nanosheets in Acids, Buffered Solutions, and Bioelectrolytes
journal, January 2015

Dissecting graphene capacitance in electrochemical cell
journal, May 2015

Ionic Liquids at Electrified Interfaces
journal, March 2014

Visualization of Atomic Processes on Ruthenium Dioxide using Scanning Tunneling Microscopy
journal, February 2004

Multifunctional 3D nanoarchitectures for energy storage and conversion
journal, January 2009

Where Do Batteries End and Supercapacitors Begin?
journal, March 2014

Interfacial ionic ‘liquids’: connecting static and dynamic structures
journal, December 2014

Incorporation of Homogeneous, Nanoscale MnO ₂ within Ultraporous Carbon Structures via Self-Limiting Electroless Deposition: Implications for Electrochemical Capacitors
journal, February 2007

Redox Deposition of Nanoscale Metal Oxides on Carbon for Next-Generation Electrochemical Capacitors
journal, March 2012

Mesoporous RuO2 for the next generation supercapacitors with an ultrahigh power density
journal, July 2009

Proton and Electron Conductivity in Hydrous Ruthenium Oxides Evaluated by Electrochemical Impedance Spectroscopy: The Origin of Large Capacitance
journal, April 2005

Ruthenia-Based Electrochemical Supercapacitors: Insights from First-Principles Calculations
journal, June 2012

Physical electrochemistry of ceramic oxides
journal, January 1991

Atomic-Scale Analysis of the RuO ₂ /Water Interface under Electrochemical Conditions
journal, April 2016

High-performance planar nanoscale dielectric capacitors
journal, May 2015

Ultracapacitors: why, how, and where is the technology
journal, November 2000

First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
journal, March 2006

Large-scale synthesis of hybrid metal oxides through metal redox mechanism for high-performance pseudocapacitors
journal, January 2016

Pseudopotentials for high-throughput DFT calculations
journal, January 2014

Materials for Electrochemical Capacitors
journal, January 1996

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores
journal, October 2011

Influence of metal oxide nanoparticles on pseudocapacitive behavior of wet-spun polyaniline-multiwall carbon nanotube fibers
journal, May 2012

The Potential of Zero Charge of Oriented Single-Crystal RuO[sub 2] in Aqueous Electrolytes
journal, January 1983

True Performance Metrics in Electrochemical Energy Storage
journal, November 2011

Graphene-Based Ultracapacitors
journal, October 2008

Uniformly Embedded Metal Oxide Nanoparticles in Vertically Aligned Carbon Nanotube Forests as Pseudocapacitor Electrodes for Enhanced Energy Storage
journal, July 2013

Carbon-based materials as supercapacitor electrodes
journal, January 2009

Templated Nanocrystal-Based Porous TiO₂ Films for Next-Generation Electrochemical Capacitors
journal, February 2009

Double layer capacitance of Pt(111) single crystal electrodes
journal, July 2001

Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors
journal, March 2013

Oscillation of Capacitance inside Nanopores
journal, December 2011

Commensurate Water Monolayer at the ${RuO}_{2} (110)$ /Water Interface
journal, April 2001

Hydrogen evolution by a metal-free electrocatalyst
journal, April 2014

Cathodic activation of RuO 2 single crystal surfaces for hydrogen-evolution reaction
journal, September 2003

Structure and dynamics of electrical double layers in organic electrolytes
journal, January 2010

Evaluation of the pseudocapacitance in RuO2 with a RuO2/GC thin film electrode
journal, January 2004

Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes
journal, February 2016

Ordered mesoporous α-MoO3 with iso-oriented nanocrystalline walls for thin-film pseudocapacitors
journal, January 2010

Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes
journal, October 2010

Characterization of hydrous ruthenium oxide/carbon nanocomposite supercapacitors prepared by a colloidal method
journal, January 2002

Pseudocapacitive Contributions to Electrochemical Energy Storage in TiO₂ (Anatase) Nanoparticles
journal, October 2007

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations
journal, March 2015

The role and utilization of pseudocapacitance for energy storage by supercapacitors
journal, May 1997

Atomic-Scale Structure and Catalytic Reactivity of the RuO2(110) Surface
journal, February 2000

Boron Nitride–Graphene Nanocapacitor and the Origins of Anomalous Size-Dependent Increase of Capacitance
journal, March 2014

Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor
journal, June 2012

Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics for N -Methyl- N -propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes
journal, March 2011

Transition from “Supercapacitor” to “Battery” Behavior in Electrochemical Energy Storage
journal, January 1991

Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size
journal, October 2011

Voltammetric Characterization of Ruthenium Oxide-Based Aerogels and Other RuO ₂ Solids: The Nature of Capacitance in Nanostructured Materials
journal, February 1999

Double Layer in Ionic Liquids: Overscreening versus Crowding
journal, January 2011

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
journal, August 2012

Charge storage mechanism of nanostructured anhydrous and hydrous ruthenium-based oxides
journal, December 2006

Probing the electrochemical capacitance of MXene nanosheets for high-performance pseudocapacitors
journal, January 2016