Contribution of dielectric screening to the total capacitance of few-layer graphene electrodes
Abstract
We apply joint density functional theory (JDFT), which treats the electrode/electrolyte interface self-consistently, to an electric double-layer capacitor (EDLC) based on few-layer graphene electrodes. The JDFT approach allows us to quantify a third contribution to the total capacitance beyond quantum capacitance (CQ) and EDL capacitance (CEDL). This contribution arises from the dielectric screening of the electric field by the surface of the few-layer graphene electrode, and we therefore term it the dielectric capacitance (CDielec). We find that CDielec becomes significant in affecting the total capacitance when the number of graphene layers in the electrode is more than three. In conclusion, our investigation sheds new light on the significance of the electrode dielectric screening on the capacitance of few-layer graphene electrodes.
- Authors:
-
- Univ. of California, Riverside, CA (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Fluid Interface Reactions, Structures and Transport Center (FIRST)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1267032
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry Letters
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 5; Journal ID: ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE
Citation Formats
Zhan, Cheng, and Jiang, De-en. Contribution of dielectric screening to the total capacitance of few-layer graphene electrodes. United States: N. p., 2016.
Web. doi:10.1021/acs.jpclett.6b00047.
Zhan, Cheng, & Jiang, De-en. Contribution of dielectric screening to the total capacitance of few-layer graphene electrodes. United States. https://doi.org/10.1021/acs.jpclett.6b00047
Zhan, Cheng, and Jiang, De-en. Wed .
"Contribution of dielectric screening to the total capacitance of few-layer graphene electrodes". United States. https://doi.org/10.1021/acs.jpclett.6b00047. https://www.osti.gov/servlets/purl/1267032.
@article{osti_1267032,
title = {Contribution of dielectric screening to the total capacitance of few-layer graphene electrodes},
author = {Zhan, Cheng and Jiang, De-en},
abstractNote = {We apply joint density functional theory (JDFT), which treats the electrode/electrolyte interface self-consistently, to an electric double-layer capacitor (EDLC) based on few-layer graphene electrodes. The JDFT approach allows us to quantify a third contribution to the total capacitance beyond quantum capacitance (CQ) and EDL capacitance (CEDL). This contribution arises from the dielectric screening of the electric field by the surface of the few-layer graphene electrode, and we therefore term it the dielectric capacitance (CDielec). We find that CDielec becomes significant in affecting the total capacitance when the number of graphene layers in the electrode is more than three. In conclusion, our investigation sheds new light on the significance of the electrode dielectric screening on the capacitance of few-layer graphene electrodes.},
doi = {10.1021/acs.jpclett.6b00047},
journal = {Journal of Physical Chemistry Letters},
number = 5,
volume = 7,
place = {United States},
year = {Wed Feb 17 00:00:00 EST 2016},
month = {Wed Feb 17 00:00:00 EST 2016}
}
Web of Science
Works referenced in this record:
Carbon-based materials as supercapacitor electrodes
journal, January 2009
- Zhang, Li Li; Zhao, X. S.
- Chemical Society Reviews, Vol. 38, Issue 9
Carbon Materials for Chemical Capacitive Energy Storage
journal, September 2011
- Zhai, Yunpu; Dou, Yuqian; Zhao, Dongyuan
- Advanced Materials, Vol. 23, Issue 42
Supercapacitor Devices Based on Graphene Materials
journal, July 2009
- Wang, Yan; Shi, Zhiqiang; Huang, Yi
- The Journal of Physical Chemistry C, Vol. 113, Issue 30
Materials for electrochemical capacitors
journal, November 2008
- Simon, Patrice; Gogotsi, Yury
- Nature Materials, Vol. 7, Issue 11
Monolithic Carbide-Derived Carbon Films for Micro-Supercapacitors
journal, April 2010
- Chmiola, J.; Largeot, C.; Taberna, P. L.
- Science, Vol. 328, Issue 5977
Effects of structural disorder and surface chemistry on electric conductivity and capacitance of porous carbon electrodes
journal, January 2014
- Dyatkin, Boris; Gogotsi, Yury
- Faraday Discuss.
Strain-Based In Situ Study of Anion and Cation Insertion into Porous Carbon Electrodes with Different Pore Sizes
journal, October 2013
- Black, Jennifer M.; Feng, Guang; Fulvio, Pasquale F.
- Advanced Energy Materials, Vol. 4, Issue 3
Ion Dynamics in Porous Carbon Electrodes in Supercapacitors Using in Situ Infrared Spectroelectrochemistry
journal, August 2013
- Richey, Francis W.; Dyatkin, Boris; Gogotsi, Yury
- Journal of the American Chemical Society, Vol. 135, Issue 34
Electrosorption capacitance of nanostructured carbon-based materials
journal, October 2006
- Hou, Chia-Hung; Liang, Chengdu; Yiacoumi, Sotira
- Journal of Colloid and Interface Science, Vol. 302, Issue 1, p. 54-61
Mesoporous graphene-like carbon sheet: high-power supercapacitor and outstanding catalyst support
journal, January 2014
- Zhang, Pengfei; Qiao, Zhen-An; Zhang, Zhiyong
- J. Mater. Chem. A, Vol. 2, Issue 31
Studies on Supercapacitor Electrode Material from Activated Lignin-Derived Mesoporous Carbon
journal, January 2014
- Saha, Dipendu; Li, Yunchao; Bi, Zhonghe
- Langmuir, Vol. 30, Issue 3
Measurement of the quantum capacitance of graphene
journal, July 2009
- Xia, Jilin; Chen, Fang; Li, Jinghong
- Nature Nanotechnology, Vol. 4, Issue 8, p. 505-509
Detection of resonant impurities in graphene by quantum capacitance measurement
journal, February 2014
- Wang, Lin; Chen, Xiaolong; Zhu, Wei
- Physical Review B, Vol. 89, Issue 7
Relative contributions of quantum and double layer capacitance to the supercapacitor performance of carbon nanotubes in an ionic liquid
journal, January 2013
- Pak, Alexander J.; Paek, Eunsu; Hwang, Gyeong S.
- Phys. Chem. Chem. Phys., Vol. 15, Issue 45
A Computational Study of the Interfacial Structure and Capacitance of Graphene in [BMIM][PF 6 ] Ionic Liquid
journal, November 2012
- Paek, Eunsu; Pak, Alexander J.; Hwang, Gyeong S.
- Journal of The Electrochemical Society, Vol. 160, Issue 1
On the Origin of the Enhanced Supercapacitor Performance of Nitrogen-Doped Graphene
journal, March 2013
- Paek, Eunsu; Pak, Alexander J.; Kweon, Kyoung E.
- The Journal of Physical Chemistry C, Vol. 117, Issue 11
On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores
journal, December 2012
- Xing, Lidan; Vatamanu, Jenel; Borodin, Oleg
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 1
On the Influence of Surface Topography on the Electric Double Layer Structure and Differential Capacitance of Graphite/Ionic Liquid Interfaces
journal, August 2011
- Vatamanu, Jenel; Cao, Liulei; Borodin, Oleg
- The Journal of Physical Chemistry Letters, Vol. 2, Issue 17
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
- Vatamanu, Jenel; Borodin, Oleg; Smith, Grant D.
- The Journal of Physical Chemistry B, Vol. 115, Issue 12
Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes
journal, October 2010
- Vatamanu, Jenel; Borodin, Oleg; Smith, Grant D.
- Journal of the American Chemical Society, Vol. 132, Issue 42
Microstructure and Capacitance of the Electrical Double Layers at the Interface of Ionic Liquids and Planar Electrodes
journal, February 2009
- Feng, G.; Zhang, J. S.; Qiao, R.
- The Journal of Physical Chemistry C, Vol. 113, Issue 11
Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces
journal, February 2012
- Feng, Guang; Jiang, De-en; Cummings, Peter T.
- Journal of Chemical Theory and Computation, Vol. 8, Issue 3
Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size
journal, October 2011
- Feng, Guang; Cummings, Peter T.
- The Journal of Physical Chemistry Letters, Vol. 2, Issue 22
Structure and dynamics of electrical double layers in organic electrolytes
journal, January 2010
- Feng, Guang; Huang, Jingsong; Sumpter, Bobby G.
- Physical Chemistry Chemical Physics, Vol. 12, Issue 20
Capacitance of carbon-based electrical double-layer capacitors
journal, February 2014
- Ji, Hengxing; Zhao, Xin; Qiao, Zhenhua
- Nature Communications, Vol. 5, Issue 1
Electric double-layer capacitance between an ionic liquid and few-layer graphene
journal, April 2013
- Uesugi, Eri; Goto, Hidenori; Eguchi, Ritsuko
- Scientific Reports, Vol. 3, Issue 1
Quantum Capacitance of Aryldiazonium Modified Large Area Few-Layer Graphene Electrodes
journal, November 2015
- Brooksby, Paula A.; Farquhar, Anna K.; Dykstra, Haidee M.
- The Journal of Physical Chemistry C, Vol. 119, Issue 46
Interfacial capacitance of single layer graphene
journal, January 2011
- Stoller, Meryl D.; Magnuson, Carl W.; Zhu, Yanwu
- Energy & Environmental Science, Vol. 4, Issue 11
Quantum Effects on the Capacitance of Graphene-Based Electrodes
journal, September 2015
- Zhan, Cheng; Neal, Justin; Wu, Jianzhong
- The Journal of Physical Chemistry C, Vol. 119, Issue 39
Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge
journal, August 2012
- Letchworth-Weaver, Kendra; Arias, T. A.
- Physical Review B, Vol. 86, Issue 7
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Dissecting graphene capacitance in electrochemical cell
journal, May 2015
- Sun, Sheng; Qi, Yue; Zhang, Tong-Yi
- Electrochimica Acta, Vol. 163
Graphene-Based Ultracapacitors
journal, October 2008
- Stoller, Meryl D.; Park, Sungjin; Zhu, Yanwu
- Nano Letters, Vol. 8, Issue 10
Tailoring graphene-based electrodes from semiconducting to metallic to increase the energy density in supercapacitors
journal, October 2015
- Vatamanu, Jenel; Ni, Xiaojuan; Liu, Feng
- Nanotechnology, Vol. 26, Issue 46
Capacitive charge storage at an electrified interface investigated via direct first-principles simulations
journal, March 2015
- Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen
- Physical Review B, Vol. 91, Issue 12
Interlayer screening effect in graphene multilayers with and stacking
journal, March 2010
- Koshino, Mikito
- Physical Review B, Vol. 81, Issue 12
Charge distribution and screening in layered graphene systems
journal, June 2007
- Guinea, F.
- Physical Review B, Vol. 75, Issue 23
On the influence of polarization effects in predicting the interfacial structure and capacitance of graphene-like electrodes in ionic liquids
journal, January 2015
- Paek, Eunsu; Pak, Alexander J.; Hwang, Gyeong S.
- The Journal of Chemical Physics, Vol. 142, Issue 2
Nitrogen doping of graphene and its effect on quantum capacitance, and a new insight on the enhanced capacitance of N-doped carbon
journal, January 2012
- Zhang, Li Li; Zhao, Xin; Ji, Hengxing
- Energy & Environmental Science, Vol. 5, Issue 11, p. 9618-9625
Works referencing / citing this record:
Computational Insights into Materials and Interfaces for Capacitive Energy Storage
journal, April 2017
- Zhan, Cheng; Lian, Cheng; Zhang, Yu
- Advanced Science, Vol. 4, Issue 7
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
journal, February 2017
- Sundararaman, Ravishankar; Schwarz, Kathleen
- The Journal of Chemical Physics, Vol. 146, Issue 8
A first-principles roadmap and limits to design efficient supercapacitor electrode materials
journal, January 2019
- Ali, Basant A.; Allam, Nageh K.
- Physical Chemistry Chemical Physics, Vol. 21, Issue 32
A comparative study of room temperature ionic liquids and their organic solvent mixtures near charged electrodes
journal, September 2016
- Vatamanu, Jenel; Vatamanu, Mihaela; Borodin, Oleg
- Journal of Physics: Condensed Matter, Vol. 28, Issue 46
Computational Insights into Materials and Interfaces for Capacitive Energy Storage
journal, April 2017
- Zhan, Cheng; Lian, Cheng; Zhang, Yu
- Advanced Science, Vol. 4, Issue 7
The Influence of Anion Shape on the Electrical Double Layer Microstructure and Capacitance of Ionic Liquids-Based Supercapacitors by Molecular Simulations
journal, February 2017
- Chen, Ming; Li, Song; Feng, Guang
- Molecules, Vol. 22, Issue 2