Competition of desolvation and stabilization of organic electrolytes in extremely narrow nanopores

Journal of Physical Chemistry C

Volumn 117, Issue 33, 2013, Pages 17092-17098

  Ohba, Tomonori ^a   Kaneko, Katsumi ^b  

^a CHIBA UNIVERSITY   (Japan)

^b SHINSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC DOUBLE LAYER CAPACITOR; LOSS OF STABILITY; MOLECULAR MECHANISM; NANOPOROUS CARBONS; ORGANIC ELECTROLYTE; PROPYLENE CARBONATE; TETRAETHYLAMMONIUM; TETRAFLUOROBORATES;

ELECTROLYTES; IONS; MONTE CARLO METHODS; NANOPORES;

ELECTROLYTIC CAPACITORS;

EID: 84883175443     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp405479y     Document Type: Article

References (58)

1. Patz, J. A.; Campbell-Lendrum, D.; Holloway, T.; Foley, J. A. Impact of Regional Climate Change on Human Health Nature 2005, 438, 310-317
2. LefeÌvre, N. Measuring the Energy Security Implications of Fossil Fuel Resource Concentration Energy Policy 2010, 38, 1635-1644
3. Jacobson, M. Z.; Delucchi, M. A. Providing All Global Energy with Wind, Water, and Solar Power, Part I: Technologies, Energy Resources, Quantities and Areas of Infrastructure, and Materials Energy Policy 2011, 39, 1154-1169
4. Christen, T.; Carlen, M. W. Theory of Ragone Plots J. Power Sources 2000, 91, 210-216
5. Pell, W. G.; Conway, B. E. Quantitative Modeling of Factors Determining Ragone Plots for Batteries and Electrochemical Capacitors J. Power Sources 1996, 63, 255-266
6. Balducci, A.; Bardi, U.; Caporali, S.; Mastragostino, M.; Soavi, F. Ionic Liquids for Hybrid Supercapacitors Electrochem. Commun. 2004, 6, 566-570
7. Ue, M.; Takeda, M.; Takehara, M.; Mori, S. Electrochemical Properties of Quaternary Ammonium Salts for Electrochemical Capacitors J. Electrochem. Soc. 1997, 144, 2684-2688
8. Yuyama, K.; Masuda, G.; Yoshida, H.; Sato, T. Ionic Liquids Containing the Tetrafluoroborate Anion Have the Best Performance and Stability for Electric Double Layer Capacitor Applications J. Power Sources 2006, 162, 1401-1408
9. Frackowiak, E.; Béguin, F. Electrochemical Storage of Energy in Carbon Nanotubes and Nanostructured Carbons Carbon 2002, 40, 1775-1787
10. Vix-Guterl, C.; Frackowiak, E.; Jurewicz, K.; Friebe, M.; Parmentier, J.; Béguin, F. Electrochemical Energy Storage in Ordered Porous Carbon Materials Carbon 2005, 43, 1293-1302
11. Qu, D.; Shi, H. Studies of Activated Carbons Used in Double-Layer Capacitors J. Power Sources 1998, 74, 99-107
12. Osaka, T.; Liu, X.; Nojima, M.; Momma, T. An Electrochemical Double Layer Capacitor Using an Activated Carbon Electrode with Gel Electrolyte Binder J. Electrochem. Soc. 1999, 146, 1724-1729
13. Salitra, G.; Soffer, A.; Eliad, L.; Cohen, Y.; Aurbach, D. Carbon Electrodes for Double-Layer Capacitors I. Relations between Ion and Pore Dimensions J. Electrochem. Soc. 2000, 147, 2486-2493
14. Laforgue, A.; Simon, P.; Fauvarque, J. F.; Mastragostino, M.; Soavi, F.; Sarrau, J. F.; Lailler, P.; Conte, M.; Rossi, E.; Saguatti, S. Activated Carbon/Conducting Polymer Hybrid Supercapacitors J. Electrochem. Soc. 2003, 150, A645-A651
15. Lee, S.-I.; Mitani, S.; Yoon, S.-H.; Korai, Y.; Mochida, I. Preparation of Spherical Activated Carbon with High Electric Double-Layer Capacitance Carbon 2004, 42, 2332-2334
16. Wei, Y.-Z.; Fang, B.; Iwasa, S.; Kumagai, M. A Novel Electrode Material for Electric Double-Layer Capacitors J. Power Sources 2005, 141, 386-391
17. 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
18. Chmiola, J.; Largeot, C.; Taberna, P.-L.; Simon, P.; Gogotsi, Y. Desolvation of Ions in Subnanometer Pores and Its Effect on Capacitance and Double-Layer Theory Angew. Chem., Int. Ed. 2008, 47, 3392-3395
19. 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
20. Simon, P.; Gogotsi, Y. Capacitive Energy Storage in Nanostructured Carbon-Electrolyte Systems Acc. Chem. Res. 2013, 46, 1094-1103
21. Feng, G.; Cummings, P. T. Supercapacitor Capacitance Exhibits Oscillatory Behavior as a Function of Nanopore Size J. Phys. Chem. Lett. 2011, 2, 2859-2864
22. Jiang, D. E.; Jin, Z.; Henderson, D.; Wu, J. Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor J. Phys. Chem. Lett. 2012, 3, 1727-1731
23. Arulepp, M.; Permann, L.; Leis, J.; Perkson, A.; Rumma, K.; Jänes, A.; Lust, E. Influence of the Solvent Properties on the Characteristics of a Double Layer Capacitor J. Power Sources 2004, 133, 320-328
24. Galiński, M.; Lewandowski, A.; SteÌ̈pniak, I. Ionic Liquids as Electrolytes Electrochim. Acta 2006, 51, 5567-5580
25. Tanaka, A.; Iiyama, T.; Ohba, T.; Ozeki, S.; Urita, K.; Fujimori, T.; Kanoh, H.; Kaneko, K. Effect of a Quaternary Ammonium Salt on Propylene Carbonate Structure in Slit-Shaped Carbon Nanopores J. Am. Chem. Soc. 2010, 132, 2112-2113
26. Ohba, T.; Hata, K.; Kanoh, H. Significant Hydration Shell Formation Instead of Hydrogen Bonds in Nanoconfined Aqueous Electrolyte Solutions J. Am. Chem. Soc. 2012, 134, 17850-17853
27. Fukano, M.; Fujimori, T.; Ségalini, J.; Iwama, E.; Taberna, P.-L.; Iiyama, T.; Ohba, T.; Kanoh, H.; Gogotsi, Y.; Simon, P.; Kaneko, K. Vertically Oriented Propylene Carbonate Molecules and Tetraethyl Ammonium Ions in Carbon Slit Pores J. Phys. Chem. C 2013, 117, 5752-5757
28. Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
29. Chaban, V. Filling Carbon Nanotubes with Liquid Acetonitrile Chem. Phys. Lett. 2010, 496, 50-55
30. Snurr, R. Q.; Bell, A. T.; Theodorou, D. N. Prediction of Adsorption of Aromatic Hydrocarbons in Silicalite from Grand Canonical Monte Carlo Simulations with Biased Insertions J. Phys. Chem. 1993, 97, 13742-13752
31. Steele, W. Computer Simulations of Physical Adsorption: A Historical Review Appl. Surf. Sci. 2002, 196, 3-12
32. 2 Adsorption Isotherms Langmuir 2000, 16, 2311-2320
33. Do, D. D.; Do, H. D. Modeling of Adsorption on Nongraphitized Carbon Surface: GCMC Simulation Studies and Comparison with Experimental Data J. Phys. Chem. B 2006, 110, 17531-17538
34. Ohba, T.; Kaneko, K. Cluster-Associated Filling of Water Molecules in Slit-Shaped Graphitic Nanopores Mol. Phys. 2007, 105, 139-145
35. Shao, Q.; Huang, L.; Zhou, J.; Lu, L.; Zhang, L.; Lu, X.; Jiang, S.; Gubbins, K. E.; Shen, W. Molecular Simulation Study of Temperature Effect on Ionic Hydration in Carbon Nanotubes Phys. Chem. Chem. Phys. 2008, 10, 1896-1906
36. Kalluri, R. K.; Konatham, D.; Striolo, A. A. Aqueous NaCl Solutions within Charged Carbon-Slit Pores: Partition Coefficients and Density Distributions from Molecular Dynamics Simulations J. Phys. Chem. C 2011, 115, 13786-13795
37. Ohba, T.; Kanoh, H. Energetic Contribution to Hydration Shells in One-Dimensional Aqueous Electrolyte Solution by Anomalous Hydrogen Bonds Phys. Chem. Chem. Phys. 2013, 15, 5658-5663
38. Leung, K.; Marsman, M. Energies of Ions in Water and Nanopores within Density Functional Theory J. Chem. Phys. 2007, 127, 154722
39. Shim, Y.; Kim, H. J. Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study ACS Nano 2010, 4, 2345-2355
40. Merlet, C.; Péan, C.; Rotenberg, B.; Madden, P. A.; Simon, P.; Salanne, M. Simulating Supercapacitors: Can We Model Electrodes as Constant Charge Surfaces? J. Phys. Chem. Lett. 2013, 4, 264-268
41. Xing, L.; Vatamanu, J.; Borodin, O.; Bedrov, D. On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores J. Phys. Chem. Lett. 2013, 4, 132-140
42. Nidhi, N.; Monk, J.; Singh, R.; Hung, F. R. On the Influence of Pore Size and Pore Loading on Structural and Dynamical Heterogeneities of an Ionic Liquid Confined in a Slit Nanopore J. Phys. Chem. C 2012, 116, 5169-5181
43. Nidhi, N.; Monk, J.; Hung, F. R. Structure and Dynamics of an Ionic Liquid Confined Inside a Charged Slit Graphitic Nanopore J. Phys. Chem. C 2012, 116, 14504-14513
44. Soetens, J. C.; Millot, C.; Maigret, B.; Bakó, I. Molecular Dynamics Simulation and X-ray Diffraction Studies of Ethylene Carbonate, Propylene Carbonate and Dimethyl Carbonate in Liquid Phase J. Mol. Liq. 2001, 92, 201-216
45. - in Ethylene Carbonate, Propylene Carbonate, and Dimethyl Carbonate Solvents J. Phys. Chem. A 1998, 102, 1055-1061
46. Jorgensen, W. L.; Severance, D. L. Aromatic-Aromatic Interactions: Free Energy Profiles for the Benzene Dimer in Water, Chloroform, and Liquid Benzene J. Am. Chem. Soc. 1990, 112, 4768-4774
47. Jorgensen, W. L.; Briggs, J. M.; Contreras, M. L. Relative Partition Coefficients for Organic Solutes from Fluid Simulations J. Phys. Chem. 1990, 94, 1683-1686
48. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, revision A.02; Gaussian, Inc.: Wallingford, CT, 2009.
49. Steele, W. A. The Physical Interaction of Gases with Crystalline Solids: I. Gas-Solid Energies and Properties of Isolated Adsorbed Atoms Surf. Sci. 1973, 36, 317-352
50. Falk, K.; Selmeier, F.; Joly, L.; Netz, R. R.; Bocquet, L. Molecular Origin of Fast Water Transport in Carbon Nanotube Membranes: Superlubricity versus Curvature Dependent Friction Nano Lett. 2010, 10, 4067-4073
51. Cui, S. T. Molecular Dynamics Study of Single-Stranded DNA in Aqueous Solution Confined in a Nanopore Mol. Phys. 2004, 102, 139-146
52. Yin, Y. F.; McEnaney, B.; Mays, T. J. Dependence of GCEMC Simulations of Nitrogen Adsorption on Activated Carbons on Input Parameters Carbon 1998, 36, 1425-1432
53. 2 in Slit-Shaped Carbon Micropores: Experiment and Grand Canonical Monte Carlo Simulation Langmuir 2003, 19, 5700-5707
54. Tyunina, E.; Afanas'ev, V.; Chekunova, M. Viscosity and Density of Solutions of Tetraethylammonium Tetrafluoroborate in Propylene Carbonate at Different Temperatures J. Solution Chem. 2012, 41, 307-317
55. Lozano-Castelló, D.; Cazorla-Amorós, D.; Linares-Solano, A.; Chiraishi, S.; Kurihara, H.; Oya, A. Influence of Pore Structure and Surface Chemistry on Electric Double Layer Capacitance in Non-Aqueous Electrolyte Carbon 2003, 41, 1765-1775
56. Zhai, Y.; Dou, Y.; Zhao, D.; Fulvio, P. F.; Mayes, R. T.; Dai, S. Carbon Materials for Chemical Capacitive Energy Storage Adv. Mater. 2011, 23, 4828-4850
57. Huang, J.; 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
58. Xing, W.; Qiao, S. Z.; Ding, R. G.; Li, F.; Lu, G. Q.; Yan, Z. F.; Cheng, H. M. Superior Electric Double Layer Capacitors Using Ordered Mesoporous Carbons Carbon 2006, 44, 216-224