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

Electrochimica Acta

Volumn 206, Issue , 2016, Pages 504-512

  Pean, C ^a,b,c   Rotenberg, B ^a,c   Simon, P ^b,c   Salanne, M ^a,c,d  

^a SORBONNE UNIVERSITÉ   (France)

^b UNIVERSITÉ PAUL SABATIER   (France)

^c FR CNRS 3459   (France)

^d Maison de la Simulation   (France)

Author keywords

Dynamic processes; Molecular dynamics; Porous materials; Solvation; Supercapacitors

Indexed keywords

CARBON; DIGITAL STORAGE; ELECTRIC CHARGE; ELECTRODES; IONIC LIQUIDS; MOLECULAR DYNAMICS; POROUS MATERIALS; SOLVATION;

CARBON ELECTRODE; CHARGING MECHANISM; DIFFERENT STRUCTURE; DYNAMIC PROCESS; DYNAMICAL PROCESS; ELECTRODE MATERIAL; NEGATIVE POTENTIAL; SUPER CAPACITOR;

CAPACITORS;

EID: 84959890234     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2016.02.106     Document Type: Article

References (42)

1. P. Simon, and Y. Gogotsi Capacitive Energy Storage in Nanostructured Carbon Electrolyte Systems Accounts of Chemical Research 46 2012 1094 1103 10.1021/ar200306b URL http://dx.doi.org/10.1021/ar200306b
2. J. Chmiola, G. Yushin, Y. Gogotsi, C. Portet, P. Simon, and P.-L. Taberna Anomalous increase in carbon capacitance at pore sizes less than 1 nanometer Science 313 2006 1760 1763 10.1126/science.1132195 URL http://www.sciencemag.org/content/313/5794/1760
3. M.D. Levi, N. Levy, S. Sigalov, G. Salitra, D. Aurbach, and J. Maier Electrochemical Quartz Crystal Microbalance (EQCM) Studies of Ions and Solvents Insertion into Highly Porous Activated Carbons Journal of the American Chemical Society 132 2010 13220 13222 10.1021/ja104391g URL http://dx.doi.org/10.1021/ja104391g
4. A.C. Forse, J.M. Griffin, H. Wang, N.M. Trease, V. Presser, Y. Gogotsi, P. Simon, and C.P. Grey Nuclear magnetic resonance study of ion adsorption on microporous carbide-derived carbon Physical Chemistry Chemical Physics 15 2013 7722 7730 10.1039/C3CP51210J URL http://pubs.rsc.org/en/content/articlelanding/2013/cp/c3cp51210j
5. C. Merlet, A.C. Forse, J.M. Griffin, D. Frenkel, and C.P. Grey Lattice simulation method to model diffusion and NMR spectra in porous materials The Journal of Chemical Physics 142 2015 094701 10.1063/1.4913368 URL http://scitation.aip.org/content/aip/journal/jcp/142/9/10.1063/1.4913368
6. M. Deschamps, E. Gilbert, P. Azais, E. Raymundo-Piñero, M.R. Ammar, P. Simon, D. Massiot, and F. Beguin Exploring electrolyte organization in supercapacitor electrodes with solid-state NMR Nature Materials 12 2013 351 358 10.1038/nmat3567 URL http://www.nature.com/nmat/journal/v12/n4/full/nmat3567.html
7. F.W. Richey, B. Dyatkin, Y. Gogotsi, and Y.A. Elabd Ion dynamics in porous carbon electrodes in supercapacitors using in situ infrared spectroelectrochemistry Journal of the American Chemical Society 3 2013 12818 12826 10.1021/ja406120e URL http://pubs.acs.org/doi/abs/10.1021/ja406120e
8. S. Boukhalfa, L. He, Y.B. Melnichenko, and G. Yushin Small-angle neutron scattering for in situ probing of ion adsorption inside micropores Angewandte Chemie 52 2013 4618 4622 10.1002/anie.201209141 URL http://onlinelibrary.wiley.com/doi/10.1002/anie.201209141/abstract
9. I. Humer, O. Bethge, M. Bodnarchuk, M. Kovalenko, M. Yarema, W. Heiss, H.P. Huber, M. Hochleitner, P. Hinterdorfer, F. Kienberger, and J. Smoliner Scanning microwave microscopy and scanning capacitance microscopy on colloidal nanocrystals Journal of Applied Physics 109 2011 064313 10.1063/1.3553867 URL http://scitation.aip.org/content/aip/journal/jap/109/6/10.1063/1.3553867
10. J. Vatamanu, O. Borodin, and G.D. Smith Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics for N-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes The Journal of Physical Chemistry B 115 2011 3073 3084 10.1021/jp2001207 URL http://dx.doi.org/10.1021/jp2001207
11. J. Vatamanu, O. Borodin, and G.D. Smith Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes Journal of the American Chemical Society 132 2010 14825 14833 10.1021/ja104273r URL http://dx.doi.org/10.1021/ja104273r
12. L. Xing, J. Vatamanu, O. Borodin, and D. Bedrov On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores The Journal of Physical Chemistry Letters 4 2013 132 140 10.1021/jz301782f URL http://pubs.acs.org/doi/abs/10.1021/jz301782f
13. A.A. Lee, and S. Kondrat Charging dynamics of supercapacitors with narrow cylindrical nanopores Nanotechnology 25 2014 315401 10.1088/0957-4484/25/31/315401 URL http://iopscience.iop.org/article/10.1088/0957-4484/25/31/315401/meta
14. S. Kondrat, and A. Kornyshev Superionic state in double-layer capacitors with nanoporous electrodes Journal of Physics: Condensed Matter 23 2011 022201 10.1088/0953-8984/23/2/022201 URL http://stacks.iop.org/0953-8984/23/i=2/a=022201?key=crossref.96dc46f1f885affabbc854cc76000f0f
15. J. Vatamanu, Z. Hu, D. Bedrov, C. Perez, and Y. Gogotsi Increasing Energy Storage in Electrochemical Capacitors with Ionic Liquid Electrolytes and Nanostructured Carbon Electrodes The Journal of Physical Chemistry Letters 4 2013 2829 2837 10.1021/jz401472c URL http://dx.doi.org/10.1021/jz401472c
16. C. Merlet, B. Rotenberg, P.A. Madden, P.-L. Taberna, P. Simon, Y. Gogotsi, and M. Salanne On the molecular origin of supercapacitance in nanoporous carbon electrodes Nature Materials 11 2012 306 310 10.1038/nmat3260 URL http://www.nature.com/nmat/journal/v11/n4/full/nmat3260.html
17. C. Pean, B. Daffos, C. Merlet, B. Rotenberg, P.-L. Taberna, P. Simon, and M. Salanne Single electrode capacitances of porous carbons in neat ionic liquid electrolyte at 100 °C: a combined experimental and modeling approach Journal of the Electrochemical Society 162 2015 A5091 A5095 10.1149/2.0151505jes URL http://jes.ecsdl.org/content/162/5/A5091.abstract
18. C. Merlet, M. Salanne, B. Rotenberg, and P.A. Madden Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations The Journal of Physical Chemistry C 115 2011 16613 16618 10.1021/jp205461g URL http://pubs.acs.org/doi/abs/10.1021/jp205461g
19. C. Merlet, M. Salanne, and B. Rotenberg New Coarse-Grained Models of Imidazolium Ionic Liquids for Bulk and Interfacial Molecular Simulations The Journal of Physical Chemistry C 116 2012 7687 7693 10.1021/jp3008877 URL http://pubs.acs.org/doi/abs/10.1021/jp3008877
20. C. Merlet, M. Salanne, B. Rotenberg, and P.A. Madden Influence of solvation on the structural and capacitive properties of electrical double layer capacitors Electrochimica Acta 101 2012 262 271 10.1016/j.electacta.2012.12.107 URL http://www.sciencedirect.com/science/article/pii/S0013468612020816
21. S. Kondrat, P. Wu, R.A. Qiao, and A.A. Kornyshev Accelerating charging dynamics in subnanometre pores Nature Materials 13 2014 387 393 10.1038/nmat3916 URL http://www.nature.com/nmat/journal/v13/n4/full/nmat3916.html
22. Y. He, J. Huang, B.G. Sumpter, A.A. Kornyshev, and R. Qiao Dynamic Charge Storage in Ionic Liquids-Filled Nanopores: Insight from a Computational Cyclic Voltammetry Study The Journal of Physical Chemistry Letters 6 2014 22 30 10.1021/jz5024306 URL http://dx.doi.org/10.1021/jz5024306
23. W.-Y. Tsai, P.-L. Taberna, and P. Simon Electrochemical Quartz Crystal Microbalance (EQCM) Study of Ion Dynamics in Nanoporous Carbons Journal of the American Chemical Society 136 2014 8722 8728 10.1021/ja503449w URL http://dx.doi.org/10.1021/ja503449w
24. F.W. Richey, C. Tran, V. Kalra, and Y.A. Elabd Ionic liquid dynamics in nanoporous carbon nanofibers in supercapacitors measured with in operando infrared spectroelectrochemistry Journal of Physical Chemistry C 118 2014 21846 21855 10.1021/jp506903m URL http://pubs.acs.org/doi/abs/10.1021/jp506903m
25. J. Griffin, A. Forse, W.-Y. Tsai, P.-L. Taberna, P. Simon, and C.P. Grey In situ nmr and quartz crystal microbalance techniques reveal the electric double-layer structure of supercapacitor electrodes Nature Materials 14 2015 812 10.1038/nmat4318 URL http://www.nature.com/nmat/journal/v14/n8/abs/nmat4318.html
26. C. Merlet, C. Pean, B. Rotenberg, P.A. Madden, P. Simon, and M. Salanne Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces? The Journal of Physical Chemistry Letters 4 2013 264 268 10.1021/jz3019226 URL http://dx.doi.org/10.1021/jz3019226
27. C. Pean, C. Merlet, B. Rotenberg, P.A. Madden, P.-L. Taberna, B. Daffos, M. Salanne, and P. Simon On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors ACS Nano 8 2014 1576 1583 10.1021/nn4058243 URL http://dx.doi.org/10.1021/nn4058243
28. C. Merlet, C. Pean, B. Rotenberg, P.A. Madden, B. Daffos, P.-L. Taberna, P. Simon, and M. Salanne Highly confined ions store charge more efficiently in supercapacitors Nature Communications 4 2013 2701 10.1038/ncomms3701 URL http://www.nature.com/ncomms/2013/131029/ncomms3701/full/ncomms3701.html
29. J. Palmer, A. Llobet, S.-H. Yeon, J. Fischer, Y. Shi, Y. Gogotsi, and K. Gubbins Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics Carbon 48 2010 1116 1123 10.1016/j.carbon.2009.11.033 URL http://www.sciencedirect.com/science/article/pii/S0008622309007684
30. D. Roy, N. Patel, S. Conte, and M. Maroncelli Dynamics in an idealized ionic liquid model Journal of Physical Chemistry B 114 2010 8410 8424 10.1021/jp1004709 URL http://pubs.acs.org/doi/abs/10.1021/jp1004709
31. D. Roy, and M. Maroncelli An Improved Four-Site Ionic Liquid Model The Journal of Physical Chemistry B 114 2010 12629 12631 10.1021/jp108179n URL http://dx.doi.org/10.1021/jp108179n
32. D.M. Edwards, P. Madden, and I. McDonald A computer simulation study of the dielectric properties of a model of methyl cyanide Molecular Physics 51 1984 1141 1161 10.1080/00268978400100731 URL http://www.ingentaconnect.com/content/tandf/tmph/1984/00000051/00000005/art00005
33. S.K. Reed, O.J. Lanning, and P.A. Madden Electrochemical interface between an ionic liquid and a model metallic electrode The Journal of Chemical Physics 126 2007 084704 10.1063/1.2464084 URL http://jcp.aip.org/resource/1/jcpsa6/v126/i8/p084704-s1
34. T.R. Gingrich, and M. Wilson On the Ewald summation of Gaussian charges for the simulation of metallic surfaces Chemical Physics Letter 500 2010 178 183 10.1016/j.cplett.2010.10.010 URL http://www.sciencedirect.com/science/article/B6TFN-51696XX-2/2/071a9d8af52b303caffcb3ff8b637fdc
35. J.I. Siepmann, and M. Sprik Influence of surface topology and electrostatic potential on water/electrode systems The Journal of Chemical Physics 102 1995 511 524 10.1063/1.469429 URL http://scitation.aip.org/content/aip/journal/jcp/102/1/10.1063/1.469429
36. H. Tokuda, K. Hayamizu, K. Ishii, M.A.B.H. Susan, and M. Watanabe Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species The Journal of Physical Chemistry B 108 2004 16593 16600 10.1021/jp047480r URL http://pubs.acs.org/doi/abs/10.1021/jp047480r
37. K. Kirchner, T. Kirchner, V. Ivanistsev, and M.V. Fedorov Electrical double layer in ionic liquids: Structural transitions from multilayer to monolayer structure at the interface Electrochimica Acta 110 2013 762 771 10.1016/j.electacta.2013.05.049 URL http://www.sciencedirect.com/science/article/pii/S0013468613009547
38. S. Brunauer, P.H. Emmett, and E. Teller Adsorption of gases in multimolecular layers Journal of American Chemical Society 60 1938 309 319 10.1021/ja01269a023 URL http://dx.doi.org/10.1021/ja01269a023
39. M.L. Connoly Analaytical molecular-surface calculation Journal of Applied Crystallography 16 1983 548 558 10.1107/S0021889883010985 URL http://scripts.iucr.org/cgi-bin/paper?S0021889883010985
40. M.L. Connolly Computation of molecular volume Journal of the American Chemical Society 107 1985 1118 1124 10.1021/ja00291a006 URL http://dx.doi.org/10.1021/ja00291a006
41. L. Gelb, and K.E. Gubbins Pore size distributions in porous glasses: a computer simulation study Langmuir 15 1999 305 10.1021/la9808418 URL http://pubs.acs.org/doi/abs/10.1021/la9808418
42. C. Pean, B. Daffos, B. Rotenberg, P. Levitz, M. Haefele, P.-L. Taberna, P. Simon, M. Salanne, Confinement, desolvation, and electrosorption effects on the diffusion of ions in nanoporous carbon electrodes, Journal of American Chemical Society doi:10.1021/jacs.5b07416. URL http://pubs.acs.org/doi/pdf/10.1021/jacs.5b07416.