Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids

Kong, Xian; Lu, Diannan; Liu, Zheng; Wu, Jianzhong

doi:10.1007/s12274-014-0574-0

Title: Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids

Journal Article · Sat Sep 27 00:00:00 EDT 2014 · Nano Research

DOI:https://doi.org/10.1007/s12274-014-0574-0· OSTI ID:1386347

Kong, Xian; Lu, Diannan; Liu, Zheng; Wu, Jianzhong

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)

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

DOE Contract Number:: ERKCC61

OSTI ID:: 1386347

Journal Information:: Nano Research, Vol. 8, Issue 3; Related Information: FIRST partners with Oak Ridge National Laboratory (lead); Argonne National Laboratory; Drexel University; Georgia State University; Northwestern University; Pennsylvania State University; Suffolk University; Vanderbilt University; University of Virginia; ISSN 1998-0124

Publisher:: Springer

Country of Publication:: United States

Language:: English

References (37)

Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores Wu, Peng; Huang, Jingsong; Meunier, Vincent ACS Nano, Vol. 5, Issue 11 https://doi.org/10.1021/nn203260w	journal	October 2011
Ionic-liquid materials for the electrochemical challenges of the future Armand, Michel; Endres, Frank; MacFarlane, Douglas R. Nature Materials, Vol. 8, Issue 8, p. 621-629 https://doi.org/10.1038/nmat2448	journal	July 2009
Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer Chmiola, J. Science, Vol. 313, Issue 5794 https://doi.org/10.1126/science.1132195	journal	September 2006
Accelerating charging dynamics in subnanometre pores Kondrat, Svyatoslav; Wu, Peng; Qiao, Rui Nature Materials, Vol. 13, Issue 4 https://doi.org/10.1038/nmat3916	journal	March 2014
High-Performance Supercapacitors Based on Poly(ionic liquid)-Modified Graphene Electrodes Kim, Tae Young; Lee, Hyun Wook; Stoller, Meryl ACS Nano, Vol. 5, Issue 1, p. 436-442 https://doi.org/10.1021/nn101968p	journal	December 2010
Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces? Merlet, Céline; Péan, Clarisse; Rotenberg, Benjamin The Journal of Physical Chemistry Letters, Vol. 4, Issue 2 https://doi.org/10.1021/jz3019226	journal	December 2012
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems Darden, Tom; York, Darrin; Pedersen, Lee The Journal of Chemical Physics, Vol. 98, Issue 12 https://doi.org/10.1063/1.464397	journal	June 1993
Molecular Insights into Carbon Supercapacitors Based on Room-Temperature Ionic Liquids Feng, Guang; Li, Song; Presser, Volker The Journal of Physical Chemistry Letters, Vol. 4, Issue 19 https://doi.org/10.1021/jz4014163	journal	September 2013
Carbon materials for supercapacitor application Frackowiak, Elzbieta Physical Chemistry Chemical Physics, Vol. 9, Issue 15 https://doi.org/10.1039/b618139m	journal	January 2007
Electrochemistry of Room Temperature Protic Ionic Liquids: A Critical Assessment for Use as Electrolytes in Electrochemical Applications Lu, Xunyu; Burrell, Geoff; Separovic, Frances The Journal of Physical Chemistry B, Vol. 116, Issue 30 https://doi.org/10.1021/jp304735p	journal	July 2012
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation Hess, Berk; Kutzner, Carsten; van der Spoel, David Journal of Chemical Theory and Computation, Vol. 4, Issue 3 https://doi.org/10.1021/ct700301q	journal	February 2008
Analytical solution of the Poisson–Nernst–Planck equations in the linear regime at an applied dc-voltage Golovnev, Anatoly; Trimper, Steffen The Journal of Chemical Physics, Vol. 134, Issue 15 https://doi.org/10.1063/1.3580288	journal	April 2011
Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors Jiang, De-en; Wu, Jianzhong The Journal of Physical Chemistry Letters, Vol. 4, Issue 8 https://doi.org/10.1021/jz4002967	journal	March 2013
Oscillation of Capacitance inside Nanopores Jiang, De-en; Jin, Zhehui; Wu, Jianzhong Nano Letters, Vol. 11, Issue 12 https://doi.org/10.1021/nl202952d	journal	December 2011
Ionic Liquids at Electrified Interfaces Fedorov, Maxim V.; Kornyshev, Alexei A. Chemical Reviews, Vol. 114, Issue 5 https://doi.org/10.1021/cr400374x	journal	March 2014
Materials for electrochemical capacitors Simon, Patrice; Gogotsi, Yury Nature Materials, Vol. 7, Issue 11 https://doi.org/10.1038/nmat2297	journal	November 2008
Charge Fluctuations in Nanoscale Capacitors Limmer, David T.; Merlet, Céline; Salanne, Mathieu Physical Review Letters, Vol. 111, Issue 10 https://doi.org/10.1103/PhysRevLett.111.106102	journal	September 2013
On the molecular origin of supercapacitance in nanoporous carbon electrodes Merlet, Céline; Rotenberg, Benjamin; Madden, Paul A. Nature Materials, Vol. 11, Issue 4 https://doi.org/10.1038/nmat3260	journal	March 2012
Relationship between the nanoporous texture of activated carbons and their capacitance properties in different electrolytes Raymundo-Piñero, E.; Kierzek, K.; Machnikowski, J. Carbon, Vol. 44, Issue 12 https://doi.org/10.1016/j.carbon.2006.05.022	journal	October 2006
An Improved Four-Site Ionic Liquid Model Roy, Durba; Maroncelli, Mark The Journal of Physical Chemistry B, Vol. 114, Issue 39 https://doi.org/10.1021/jp108179n	journal	October 2010
A Computationally Efficient Treatment of Polarizable Electrochemical Cells Held at a Constant Potential Petersen, Matt K.; Kumar, Revati; White, Henry S. The Journal of Physical Chemistry C, Vol. 116, Issue 7 https://doi.org/10.1021/jp210252g	journal	February 2012
Ewald summation for systems with slab geometry Yeh, In-Chul; Berkowitz, Max L. The Journal of Chemical Physics, Vol. 111, Issue 7 https://doi.org/10.1063/1.479595	journal	August 1999
Effects of electrostatic correlations on electrokinetic phenomena Storey, Brian D.; Bazant, Martin Z. Physical Review E, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevE.86.056303	journal	November 2012
Canonical dynamics: Equilibrium phase-space distributions Hoover, William G. Physical Review A, Vol. 31, Issue 3 https://doi.org/10.1103/PhysRevA.31.1695	journal	March 1985
Kinetic Charging Inversion in Ionic Liquid Electric Double Layers Jiang, Jian; Cao, Dapeng; Jiang, De-en The Journal of Physical Chemistry Letters, Vol. 5, Issue 13 https://doi.org/10.1021/jz5009533	journal	June 2014
Ionic liquids as electrolytes Galiński, Maciej; Lewandowski, Andrzej; Stępniak, Izabela Electrochimica Acta, Vol. 51, Issue 26 https://doi.org/10.1016/j.electacta.2006.03.016	journal	August 2006
Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size Feng, Guang; Cummings, Peter T. The Journal of Physical Chemistry Letters, Vol. 2, Issue 22 https://doi.org/10.1021/jz201312e	journal	October 2011
A unified formulation of the constant temperature molecular dynamics methods Nosé, Shuichi The Journal of Chemical Physics, Vol. 81, Issue 1 https://doi.org/10.1063/1.447334	journal	July 1984
Relation between the Ion Size and Pore Size for an Electric Double-Layer Capacitor Largeot, Celine; Portet, Cristelle; Chmiola, John Journal of the American Chemical Society, Vol. 130, Issue 9 https://doi.org/10.1021/ja7106178	journal	March 2008
Towards an understanding of induced-charge electrokinetics at large applied voltages in concentrated solutions Bazant, Martin Z.; Kilic, Mustafa Sabri; Storey, Brian D. Advances in Colloid and Interface Science, Vol. 152, Issue 1-2 https://doi.org/10.1016/j.cis.2009.10.001	journal	November 2009
On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors Péan, Clarisse; Merlet, Céline; Rotenberg, Benjamin ACS Nano, Vol. 8, Issue 2 https://doi.org/10.1021/nn4058243	journal	January 2014
Influence of surface topology and electrostatic potential on water/electrode systems Siepmann, J. Ilja; Sprik, Michiel The Journal of Chemical Physics, Vol. 102, Issue 1 https://doi.org/10.1063/1.469429	journal	January 1995
Electrochemical interface between an ionic liquid and a model metallic electrode Reed, Stewart K.; Lanning, Oliver J.; Madden, Paul A. The Journal of Chemical Physics, Vol. 126, Issue 8 https://doi.org/10.1063/1.2464084	journal	February 2007
Theoretical Model for Nanoporous Carbon Supercapacitors Huang, Jingsong; Sumpter, Bobby G.; Meunier, Vincent Angewandte Chemie International Edition, Vol. 47, Issue 3 https://doi.org/10.1002/anie.200703864	journal	January 2008
Charge Transport in Nanochannels: A Molecular Theory Marini Bettolo Marconi, Umberto; Melchionna, Simone Langmuir, Vol. 28, Issue 38 https://doi.org/10.1021/la302815z	journal	September 2012
Bias-Dependent Molecular-Level Structure of Electrical Double Layer in Ionic Liquid on Graphite Black, Jennifer M.; Walters, Deron; Labuda, Aleksander Nano Letters, Vol. 13, Issue 12, p. 5954-5960 https://doi.org/10.1021/nl4031083	journal	November 2013
The interaction between noble gases and the basal plane surface of graphite Cole, Milton W.; Klein, James R. Surface Science, Vol. 124, Issue 2-3 https://doi.org/10.1016/0039-6028(83)90808-7	journal	January 1983

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Title: Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids

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