Water in ionic liquids at electrified interfaces: The anatomy of electrosorption

ACS Nano

Volumn 8, Issue 11, 2014, Pages 11685-11694

  Feng, Guang ^a   Jiang, Xikai ^b   Qiao, Rui ^b   Kornyshev, Alexei A ^c  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b State University   (United States)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Electrical double layer; Ionic liquids; Molecular dynamics; Water electrosorption; Water ion association

Indexed keywords

IONIC LIQUIDS; IONS; MOLECULAR DYNAMICS; MOLECULES;

ELECTRICAL DOUBLE LAYERS; ELECTROCHEMICAL APPLICATIONS; ELECTROSORPTION; EXPERIMENTAL VERIFICATION; IMIDAZOLIUM-BASED IONIC LIQUID; ION ASSOCIATION; MOLECULAR DYNAMICS SIMULATIONS; ROOM TEMPERATURE IONIC LIQUIDS;

ELECTRODES;

EID: 84912552008     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn505017c     Document Type: Article

References (61)

1. Plechkova, N. V.; Seddon, K. R. Applications of Ionic Liquids in the Chemical Industry. Chem. Soc. Rev. 2008, 37, 123-150.
2. Krossing, I.; Slattery, J. M.; Daguenet, C.; Dyson, P. J.; Oleinikova, A.; Weingärtner, H. Why Are Ionic Liquids Liquid? A Simple Explanation Based on Lattice and Solvation Energies. J. Am. Chem. Soc. 2006, 128, 13427-13434.
3. Maruyama, S.; Takeyama, Y.; Taniguchi, H.; Fukumoto, H.; Itoh, M.; Kumigashira, H.; Oshima, M.; Yamamoto, T.; Matsumoto, Y. Molecular Beam Deposition of Nanoscale Ionic Liquids in Ultrahigh Vacuum. ACS Nano 2010, 4, 5946-5952.
4. Welton, T. Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis. Chem. Rev. 1999, 99, 2071-2083.
5. Maton, C.; De Vos, N.; Stevens, C. V. Ionic Liquid Thermal Stabilities: Decomposition Mechanisms and Analysis Tools. Chem. Soc. Rev. 2013, 42, 5963-5977.
6. Fedorov, M. V.; Kornyshev, A. A. Ionic Liquids at Electrified Interfaces. Chem. Rev. 2014, 114, 2978-3036.
7. Péan, C.; Merlet, C.; Rotenberg, B.; Madden, P. A.; Taberna, P.-L.; Daffos, B.; Salanne, M.; Simon, P. On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors. ACS Nano 2014, 8, 1576-1583.
8. Shim, Y.; Kim, H. J. Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study. ACS Nano 2010, 4, 2345-2355.
9. Yusko, E. C.; An, R.; Mayer, M. Electroosmotic Flow Can Generate Ion Current Rectification in Nano- and Micropores. ACS Nano 2009, 4, 477-487.
10. Ohno, H. Electrochemical Aspects of Ionic Liquids; John Wiley & Sons: Hoboken, NJ, 2011.
11. Shen, X.; Sun, B.; Yan, F.; Zhao, J.; Zhang, F.; Wang, S.; Zhu, X.; Lee, S. High-Performance Photoelectrochemical Cells from Ionic Liquid Electrolyte in Methyl-Terminated Silicon Nanowire Arrays. ACS Nano 2010, 4, 5869-5876.
12. Li, H.; Rutland, M. W.; Atkin, R. Ionic Liquid Lubrication: Influence of Ion Structure, Surface Potential and Sliding Velocity. Phys. Chem. Chem. Phys. 2013, 15, 14616-14623.
13. Murugesan, S.; Akkineni, A.; Chou, B. P.; Glaz, M. S.; Vanden Bout, D. A.; Stevenson, K. J. Room Temperature Electrodeposition of Molybdenum Sulfide for Catalytic and Photoluminescence Applications. ACS Nano 2013, 7, 8199-8205.
14. Perkin, S.; Albrecht, T.; Klein, J. Layering and Shear Properties of an Ionic Liquid, 1-Ethyl-3-methylimidazolium Ethylsulfate, Confined to Nano-films between Mica Surfaces. Phys. Chem. Chem. Phys. 2010, 12, 1243-1247.
15. Simon, P.; Gogotsi, Y. Materials for Electrochemical Capacitors. Nat. Mater. 2008, 7, 845-854.
16. Armand, M.; Endres, F.; MacFarlane, D. R.; Ohno, H.; Scrosati, B. Ionic-Liquid Materials for the Electrochemical Challenges of the Future. Nat. Mater. 2009, 8, 621-629.
17. Brandt, A.; Pohlmann, S.; Varzi, A.; Balducci, A.; Passerini, S. Ionic Liquids in Supercapacitors. MRS Bull. 2013, 38, 554-559.
18. Kim, T. Y.; Lee, H. W.; Stoller, M.; Dreyer, D. R.; Bielawski, C. W.; Ruoff, R. S.; Suh, K. S. High-Performance Supercapacitors Based on Poly(ionic liquid)-Modified Graphene Electrodes. ACS Nano 2010, 5, 436-442.
19. Lin, R.; Taberna, P.-L.; Fantini, S. B.; Presser, V.; Pérez, C. R.; Malbosc, F. O.; Rupesinghe, N. L.; Teo, K. B. K.; Gogotsi, Y.; Simon, P. Capacitive Energy Storage from -50 to 100°C Using an Ionic Liquid Electrolyte. J. Phys. Chem. Lett. 2011, 2, 2396-2401.
20. Balducci, A.; Dugas, R.; Taberna, P. L.; Simon, P.; Plée, D.; Mastragostino, M.; Passerini, S. High Temperature Carbon-Carbon Supercapacitor Using Ionic Liquid as Electrolyte. J. Power Sources 2007, 165, 922-927.
21. Choi, B. G.; Yang, M.; Jung, S. C.; Lee, K. G.; Kim, J.-G.; Park, H.; Park, T. J.; Lee, S. B.; Han, Y.-K.; Huh, Y. S. Enhanced Pseudocapacitance of Ionic Liquid/Cobalt Hydroxide Nanohybrids. ACS Nano 2013, 7, 2453-2460.
22. Wang, H.; Xu, Z.; Kohandehghan, A.; Li, Z.; Cui, K.; Tan, X.; Stephenson, T. J.; King'ondu, C. K.; Holt, C. M. B.; Olsen, B. C.; Tak, J. K.; Harfield, D.; Anyia, A. O.; Mitlin, D. Interconnected Carbon Nanosheets Derived from Hemp for Ultrafast Supercapacitors with High Energy. ACS Nano 2013, 7, 5131-5141.
23. Wasserscheid, P.; Welton, T. Ionic Liquids in Synthesis; Wiley Online Library: New York, 2003.
24. Anthony, J. L.; Maginn, E. J.; Brennecke, J. F. Solution Thermodynamics of Imidazolium-Based Ionic Liquids and Water. J. Phys. Chem. B 2001, 105, 10942-10949.
25. Rivera-Rubero, S.; Baldelli, S. Influence of Water on the Surface of Hydrophilic and Hydrophobic Room-Temperature Ionic Liquids. J. Am. Chem. Soc. 2004, 126, 11788-11789.
26. Lynden-Bell, R. M.; Kohanoff, J.; Del Popolo, M. G. Simulation of Interfaces between Room Temperature Ionic Liquids and Other Liquids. Faraday Discuss. 2005, 129, 57-67.
27. Jiang, W.; Wang, Y.; Voth, G. A. Molecular Dynamics Simulation of Nanostructural Organization in Ionic Liquid/Water Mixtures. J. Phys. Chem. B 2007, 111, 4812-4818.
28. Wang, Y.; Kakiuchi, T.; Yasui, Y.; Mirkin, M. V. Kinetics of Ion Transfer at the Ionic Liquid/Water Nanointerface. J. Am. Chem. Soc. 2010, 132, 16945-16952.
29. Hayes, R.; Imberti, S.; Warr, G. G.; Atkin, R. How Water Dissolves in Protic Ionic Liquids. Angew. Chem. 2012, 124, 7586-7589.
30. Terranova, Z. L.; Corcelli, S. A. Molecular Dynamics Investigation of the Vibrational Spectroscopy of Isolated Water in an Ionic Liquid. J. Phys. Chem. B 2014, 118, 8264-8272.
31. Khan, I.; Taha, M.; Ribeiro-Claro, P.; Pinho, S. P.; Coutinho, J. A. P. Effect of the Cation on the Interactions between Alkyl Methyl Imidazolium Chloride Ionic Liquids and Water. J. Phys. Chem. B 2014, 118, 10503-10514.
32. 2N] Ionic Liquid/Water Binary System: A Molecular Dynamics Study of Phase Separation and of the Liquid-Liquid Interface. J. Phys. Chem. B 2006, 110, 13076-13085.
33. Maerzke, K. A.; Goff, G. S.; Runde, W. H.; Schneider, W. F.; Maginn, E. J. Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations. J. Phys. Chem. B 2013, 117, 10852-10868.
34. Cammarata, L.; Kazarian, S. G.; Salter, P. A.; Welton, T. Molecular States of Water in Room Temperature Ionic Liquids. Phys. Chem. Chem. Phys. 2001, 3, 5192-5200.
35. 4]: Molecular Dynamics Simulations and Comparison with NMR Data. J. Phys. Chem. B 2008, 112, 7826-7836.
36. D'Angelo, P.; Zitolo, A.; Aquilanti, G.; Migliorati, V. Using a Combined Theoretical and Experimental Approach To Understand the Structure and Dynamics of Imidazolium-Based Ionic Liquids/Water Mixtures. 2. EXAFS Spectroscopy. J. Phys. Chem. B 2013, 117, 12516-12524.
37. Porter, A. R.; Liem, S. Y.; Popelier, P. L. A. Room Temperature Ionic Liquids Containing Low Water Concentrations - A Molecular Dynamics Study. Phys. Chem. Chem. Phys. 2008, 10, 4240-4248.
38. Menjoge, A.; Dixon, J.; Brennecke, J. F.; Maginn, E. J.; Vasenkov, S. Influence of Water on Diffusion in Imidazolium-Based Ionic Liquids: A Pulsed Field Gradient Nmr Study. J. Phys. Chem. B 2009, 113, 6353-6359.
39. Kelkar, M. S.; Maginn, E. J. Effect of Temperature and Water Content on the Shear Viscosity of the Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide As Studied by Atomistic Simulations. J. Phys. Chem. B 2007, 111, 4867-4876.
40. Bhargava, B. L.; Yasaka, Y.; Klein, M. L. Computational Studies of Room Temperature Ionic Liquid-Water Mixtures. Chem. Commun. 2011, 47, 6228-6241.
41. Feng, S.; Voth, G. A. Molecular Dynamics Simulations of Imidazolium-Based Ionic Liquid/Water Mixtures: Alkyl Side Chain Length and Anion Effects. Fluid Phase Equilib. 2010, 294, 148-156.
42. Cuadrado-Prado, S.; Domínguez-Pérez, M.; Rilo, E.; García- Garabal, S.; Segade, L.; Franjo, C.; Cabeza, O. Experimental Measurement of the Hygroscopic Grade on Eight Imidazolium Based Ionic Liquids. Fluid Phase Equilib. 2009, 278, 36-40.
43. Leenaerts, O.; Partoens, B.; Peeters, F. M. Water on Graphene: Hydrophobicity and Dipole Moment Using Density Functional Theory. Phys. Rev. B 2009, 79, 235440.
44. Vatamanu, J.; Borodin, O.; Smith, G. D. Molecular Insights into the Potential and Temperature Dependences of the Differential Capacitance of a Room-Temperature Ionic Liquid at Graphite Electrodes. J. Am. Chem. Soc. 2010, 132, 14825-14833.
45. Israelachvili, J. N. Intermolecular and Surface Forces; Academic Press: New York, 1992.
46. Vatamanu, J.; Borodin, O.; Smith, G. D. Molecular Simulations of the Electric Double Layer Structure, Differential Capacitance, and Charging Kinetics for N-Methyl-N-propylpyrrolidinium Bis(fluorosulfonyl)imide at Graphite Electrodes. J. Phys. Chem. B 2011, 115, 3073-3084.
47. Kornyshev, A. A. Double-Layer in Ionic Liquids: Paradigm Change? J. Phys. Chem. B 2007, 111, 5545-5557.
48. nmim][TFSI] Ionic Liquids at Graphite Electrodes. J. Phys. Chem. C 2012, 116, 7940-7951.
49. Lanning, O. J.; Madden, P. A. Screening at a Charged Surface by a Molten Salt. J. Phys. Chem. B 2004, 108, 11069-11072.
50. Lynden-Bell, R. M.; Frolov, A. I.; Fedorov, M. V. Electrode Screening by Ionic Liquids. Phys. Chem. Chem. Phys. 2012, 14, 2693-2701.
51. The dominance of energetic effects over the entropic effect is also supported by the observation that, near moderately charged electrodes, water molecules near the electrode align very well with the electrical field.
52. Chang, T. M.; Peterson, K. A.; Dang, L. X. Molecular Dynamics Simulations of Liquid, Interface, and Ionic Solvation of Polarizable Carbon Tetrachloride. J. Chem. Phys. 1995, 103, 7502-7513.
53. de Souza, R. F.; Padilha, J. C.; Gonc¸alves, R. S.; Rault-Berthelot, J. Dialkylimidazolium Ionic Liquids as Electrolytes for Hydrogen Production from Water Electrolysis. Electrochem. Commun. 2006, 8, 211-216.
54. de Souza, R. F.; Padilha, J. C.; Gonc¸alves, R. S.; de Souza, M. O.; Rault-Berthelot, J. Electrochemical Hydrogen Production from Water Electrolysis Using Ionic Liquid as Electrolytes: Towards the Best Device. J. Power Sources 2007, 164, 792-798.
55. Lu, X.; Burrell, G.; Separovic, F.; Zhao, C. Electrochemistry of Room Temperature Protic Ionic Liquids: A Critical Assessment for Use as Electrolytes in Electrochemical Applications. J. Chem. Phys. B 2012, 116, 9160-9170.
56. Reed, S. K.; Lanning, O. J.; Madden, P. A. Electrochemical Interface between an Ionic Liquid and a Model Metallic Electrode. J. Chem. Phys. 2007, 126, 084704.
57. Merlet, C. l.; Salanne, M.; Rotenberg, B.; Madden, P. A. Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations. J. Phys. Chem. C 2011, 115, 16613-16618.
58. Canongia Lopes, J. N.; Pádua, A. A. H. Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions. J. Phys. Chem. B 2004, 108, 16893-16898.
59. 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.
60. Lindahl, E.; Hess, B.; van der Spoel, D. Gromacs 3.0: A Package for Molecular Simulation and Trajectory Analysis. J. Mol. Model. 2001, 7, 306-317.
61. Motobayashi, K.; Minami, K.; Nishi, N.; Sakka, T.; Osawa, M. Hysteresis of Potential-Dependent Changes in Ion Density and Structure of an Ionic Liquid on a Gold Electrode: In Situ Observation by Surface-Enhanced Infrared Absorption Spectroscopy. J. Phys. Chem. Lett. 2013, 4, 3110-3114.