A Generic Model for Electric Double Layers in Porous Electrodes

Journal of Physical Chemistry C

Volumn 120, Issue 16, 2016, Pages 8704-8710

  Lian, Cheng ^a,b   Jiang, De En ^c   Liu, Honglai ^a   Wu, Jianzhong ^b  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b University of California Riverside   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; CAPACITANCE; ELECTROCHEMISTRY; ELECTRODES; ELECTROLYTIC CAPACITORS; PORE SIZE; POROUS MATERIALS; SPHERES;

CURVATURE EFFECT; ELECTRIC DOUBLE LAYER; ELECTRIC DOUBLE LAYER CAPACITOR; ELECTRODE/ELECTROLYTE INTERFACES; OSCILLATORY BEHAVIORS; OSCILLATORY VARIATIONS; POROUS ELECTRODES; REALISTIC SYSTEMS;

DENSITY FUNCTIONAL THEORY;

EID: 84966349718     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b00964     Document Type: Article

References (42)

1. Simon, P.; Gogotsi, Y. Capacitive Energy Storage in Nanostructured Carbon-Electrolyte Systems Acc. Chem. Res. 2013, 46, 1094-1103 10.1021/ar200306b
2. Burt, R.; Birkett, G.; Zhao, X. A Review of Molecular Modelling of Electric Double Layer Capacitors Phys. Chem. Chem. Phys. 2014, 16, 6519-6538 10.1039/c3cp55186e
3. Zhong, C.; Deng, Y.; Hu, W.; Qiao, J.; Zhang, L.; Zhang, J. A Review of Electrolyte Materials and Compositions for Electrochemical Supercapacitors Chem. Soc. Rev. 2015, 44, 7484-7539 10.1039/C5CS00303B
4. Shao, Y.; El-Kady, M. F.; Wang, L. J.; Zhang, Q.; Li, Y.; Wang, H.; Mousavi, M. F.; Kaner, R. B. Graphene-Based Materials for Flexible Supercapacitors Chem. Soc. Rev. 2015, 44, 3639-3665 10.1039/C4CS00316K
5. Vatamanu, J.; Bedrov, D. Capacitive Energy Storage: Current and Future Challenges J. Phys. Chem. Lett. 2015, 6, 3594-3609 10.1021/acs.jpclett.5b01199
6. Wu, P.; Huang, J. S.; Meunier, V.; Sumpter, B. G.; Qiao, R. Complex Capacitance Scaling in Ionic Liquids-Filled Nanopores ACS Nano 2011, 5, 9044-9051 10.1021/nn203260w
7. Kondrat, S.; Wu, P.; Qiao, R.; Kornyshev, A. A. Accelerating Charging Dynamics in Subnanometre Pores Nat. Mater. 2014, 13, 387-393 10.1038/nmat3916
8. He, Y.; Huang, J.; Sumpter, B. G.; Kornyshev, A. A.; Qiao, R. Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study J. Phys. Chem. Lett. 2015, 6, 22-30 10.1021/jz5024306
9. Frackowiak, E.; Abbas, Q.; Beguin, F. Carbon/Carbon Supercapacitors J. Energy Chem. 2013, 22, 226-240 10.1016/S2095-4956(13)60028-5
10. Fedorov, M. V.; Kornyshev, A. A. Ionic Liquids at Electrified Interfaces Chem. Rev. 2014, 114, 2978-3036 10.1021/cr400374x
11. Hayes, R.; Warr, G. G.; Atkin, R. Structure and Nanostructure in Ionic Liquids Chem. Rev. 2015, 115, 6357-6426 10.1021/cr500411q
12. Merlet, C.; Rotenberg, B.; Madden, P. A.; Taberna, P. L.; Simon, P.; Gogotsi, Y.; Salanne, M. On the Molecular Origin of Supercapacitance in Nanoporous Carbon Electrodes Nat. Mater. 2012, 11, 306-310 10.1038/nmat3260
13. Palmer, J. C.; Llobet, A.; Yeon, S. H.; Fischer, J. E.; Shi, Y.; Gogotsi, Y.; Gubbins, K. E. Modeling the Structural Evolution of Carbide-Derived Carbons Using Quenched Molecular Dynamics Carbon 2010, 48, 1116-1123 10.1016/j.carbon.2009.11.033
14. Meunier, V.; Huang, J. S.; Feng, G.; Qiao, R.; Sumpter, B. G. Modern Theories of Carbon-Based Electrochemical Capacitors: A Short Review Proceedings of the Asme International Mechanical Proc. ASME Int. Mech. Eng. Congr. Expo. - 2010 2010, 11, 21-30 10.1115/IMECE2010-41003
15. Huang, J.; Sumpter, B. G.; Meunier, V. Theoretical Model for Nanoporous Carbon Supercapacitors Angew. Chem., Int. Ed. 2008, 47, 520-524 10.1002/anie.200703864
16. Huang, J.; Sumpter, B. G.; Meunier, V.; Yushin, G.; Portet, C.; Gogotsi, Y. Curvature Effects in Carbon Nanomaterials: Exohedral Versus Endohedral Supercapacitors J. Mater. Res. 2010, 25, 1525-1531 10.1557/JMR.2010.0195
17. Feng, G.; Li, S.; Presser, V.; Cummings, P. T. Molecular Insights into Carbon Supercapacitors Based on Room-Temperature Ionic Liquids J. Phys. Chem. Lett. 2013, 4, 3367-3376 10.1021/jz4014163
18. Landers, J.; Gor, G. Y.; Neimark, A. V. Density Functional Theory Methods for Characterization of Porous Materials Colloids Surf., A 2013, 437, 3-32 10.1016/j.colsurfa.2013.01.007
19. Li, S.; Han, K. S.; Feng, G.; Hagaman, E. W.; Vlcek, L.; Cummings, P. T. Dynamic and Structural Properties of Room-Temperature Ionic Liquids near Silica and Carbon Surfaces Langmuir 2013, 29, 9744-9749 10.1021/la401172z
20. Van Aken, K. L.; McDonough, J. K.; Li, S.; Feng, G.; Chathoth, S. M.; Mamontov, E.; Fulvio, P. F.; Cummings, P. T.; Dai, S.; Gogotsi, Y. Effect of Cation on Diffusion Coefficient of Ionic Liquids at Onion-Like Carbon Electrodes J. Phys.: Condens. Matter 2014, 26 284104 10.1088/0953-8984/26/28/284104
21. Wang, H.; Pilon, L. Mesoscale Modeling of Electric Double Layer Capacitors with Three-Dimensional Ordered Structures J. Power Sources 2013, 221, 252-260 10.1016/j.jpowsour.2012.08.002
22. Feng, G.; Huang, J.; Sumpter, B. G.; Meunier, V.; Qiao, R. Structure and Dynamics of Electrical Double Layers in Organic Electrolytes Phys. Chem. Chem. Phys. 2010, 12, 5468-5479 10.1039/c000451k
23. Chmiola, J.; Yushin, G.; Gogotsi, Y.; Portet, C.; Simon, P.; Taberna, P. L. Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer Science 2006, 313, 1760-1763 10.1126/science.1132195
24. Largeot, C.; Portet, C.; Chmiola, J.; Taberna, P. L.; Gogotsi, Y.; Simon, P. Relation between the Ion Size and Pore Size for an Electric Double-Layer Capacitor J. Am. Chem. Soc. 2008, 130, 2730-2731 10.1021/ja7106178
25. Huang, J. S.; Sumpter, B. G.; Meunier, V. A. Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes Chem.-Eur. J. 2008, 14, 6614-6626 10.1002/chem.200800639
26. Centeno, T. A.; Sereda, O.; Stoeckli, F. Capacitance in Carbon Pores of 0.7 to 15 Nm: A Regular Pattern Phys. Chem. Chem. Phys. 2011, 13, 12403-12406 10.1039/c1cp20748b
27. Shim, Y.; Kim, H. J. Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study ACS Nano 2010, 4, 2345-2355 10.1021/nn901916m
28. Kondrat, S.; Georgi, N.; Fedorov, M. V.; Kornyshev, A. A. A Superionic State in Nano-Porous Double-Layer Capacitors: Insights from Monte Carlo Simulations Phys. Chem. Chem. Phys. 2011, 13, 11359-11366 10.1039/c1cp20798a
29. Wang, D.; Li, Y.; Li Puma, G.; Wang, C.; Wang, P.; Zhang, W.; Wang, Q. Dye-Sensitized Photoelectrochemical Cell on Plasmonic Ag/Agcl@ Chiral Tio 2 Nanofibers for Treatment of Urban Wastewater Effluents, with Simultaneous Production of Hydrogen and Electricity Appl. Catal., B 2015, 168-169, 25-32 10.1016/j.apcatb.2014.11.012
30. Wu, J. Z. Density Functional Theory for Chemical Engineering: From Capillarity to Soft Materials AIChE J. 2006, 52, 1169-1193 10.1002/aic.10713
31. Wu, J. Z.; Li, Z. D. Density-Functional Theory for Complex Fluids Annu. Rev. Phys. Chem. 2007, 58, 85-112 10.1146/annurev.physchem.58.032806.104650
32. Jiang, D.-e.; Wu, J. Unusual Effects of Solvent Polarity on Capacitance for Organic Electrolytes in a Nanoporous Electrode Nanoscale 2014, 6, 5545-5550 10.1039/c4nr00046c
33. Van Aken, K. L.; Beidaghi, M.; Gogotsi, Y. Formulation of Ionic-Liquid Electrolyte to Expand the Voltage Window of Supercapacitors Angew. Chem., Int. Ed. 2015, 54, 4806-4809 10.1002/anie.201412257
34. Jiang, D.-e.; Jin, Z.; Wu, J. Oscillation of Capacitance inside Nanopores Nano Lett. 2011, 11, 5373-5377 10.1021/nl202952d
35. Jiang, D.-e.; Wu, J. Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors J. Phys. Chem. Lett. 2013, 4, 1260-1267 10.1021/jz4002967
36. Li, Z. D.; Wu, J. Z. Density Functional Theory for Planar Electric Double Layers: Closing the Gap between Simple and Polyelectrolytes J. Phys. Chem. B 2006, 110, 7473-7484 10.1021/jp060127w
37. Yu, Y.-X.; Wu, J. Structures of Hard-Sphere Fluids from a Modified Fundamental-Measure Theory J. Chem. Phys. 2002, 117, 10156-10164 10.1063/1.1520530
38. Kornyshev, A. A. Double-Layer in Ionic Liquids: Paradigm Change? J. Phys. Chem. B 2007, 111, 5545-5557 10.1021/jp067857o
39. Bazant, M. Z.; Storey, B. D.; Kornyshev, A. A. Double Layer in Ionic Liquids: Overscreening Versus Crowding Phys. Rev. Lett. 2011, 106 046102 10.1103/PhysRevLett.106.046102
40. Fedorov, M. V.; Kornyshev, A. A. Towards Understanding the Structure and Capacitance of Electrical Double Layer in Ionic Liquids Electrochim. Acta 2008, 53, 6835-6840 10.1016/j.electacta.2008.02.065
41. Jiang, D.-e.; Meng, D.; Wu, J. Density Functional Theory for Differential Capacitance of Planar Electric Double Layers in Ionic Liquids Chem. Phys. Lett. 2011, 504, 153-158 10.1016/j.cplett.2011.01.072
42. Feng, G.; Jiang, D.-e.; Cummings, P. T. Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces J. Chem. Theory Comput. 2012, 8, 1058-1063 10.1021/ct200914j