Exploring electrochemical windows of room-temperature ionic liquids: A computational study

Journal of Physical Chemistry B

Volumn 116, Issue 39, 2012, Pages 11943-11952

  Tian, Yong Hui ^a   Goff, George S ^b   Runde, Wolfgang H ^b   Batista, Enrique R ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM COMPOUNDS; DEGRADATION; DIGITAL STORAGE;

COMPUTATIONAL COSTS; COMPUTATIONAL INVESTIGATION; COMPUTATIONAL STUDIES; DEGRADATION PRODUCTS; ELECTROCHEMICAL STABILITIES; ELECTROCHEMICAL WINDOW; EXPLICIT SOLVENTS; GASPHASE; GENERAL TRENDS; GREEN SOLVENTS; IMIDAZOLIUM; PYRROLIDINIUM; ROOM TEMPERATURE IONIC LIQUIDS; SOLVATION MODELS;

IONIC LIQUIDS;

EID: 84867065827     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp303915c     Document Type: Article

References (53)

1. Rogers, R. D.; Seddo, K. R. Science 2003, 302, 792-793
2. Sakaebe, H.; Matsumoto, H. Electrochem. Commun. 2003, 5, 594
3. Nakagawa, N.; Izuchi, S.; Kuwana, K.; Nukuba, T.; Aihara, Y. J. Electrochem. Soc. 2003, 150, A695-A700
4. Garcia, B.; Lavallee, S.; Perron, G.; Michot, C.; Armand, M. Electrochim. Acta 2004, 49, 4583
5. Matsumoto, H.; Sakaebe, H.; Tatsumi, K.; Kikuta, M.; Ishiko, E.; Kono, M. J. Power Sources 2006, 160, 1308
6. Noda, A.; Susan, M. A. B. H.; Kubo, K.; Mitsushima, S.; Hayamizu, K.; Watanabe, M. J. Phys. Chem. B 2003, 107, 4024
7. Papageorgiou, N.; Athanassov, Y.; Armand, M.; Bönhote, P.; Pettersson, H.; Azam, A.; Grätzel, M. J. Electrochem. Soc. 1996, 143, 3099
8. Wang, P.; Zakeeruddin, S. M.; Moser, J.-E.; Grätzel, M. J. Phys. Chem. B 2003, 107, 13280
9. Mikoshiba, S.; Murai, S.; Sumino, H.; Kado, T.; Kosugi, D.; Hayase, S. Curr. Appl. Phys. 2005, 5, 152
10. Endres, F.; Abbott, A. P.; MacFarlane, D. R. Electrodeposition from Ionic Liquids; Wiley-VCH: Weinheim, Germany, 2008.
11. Binnemans, K. Chem. Rev. 2007, 107, 2592-2614
12. Jagadeeswara Rao, C.; Venkatesan, K. A.; Nagarajan, K.; Srinivasan, T. G.; Vasudeva Rao, P. R. J. Nucl. Mater. 2011, 408, 25-29
13. Noda, A.; Watanabe, M. Electrochim. Acta 2000, 45, 1265-1270
14. Evans, E.; Klymenko, O. V.; Hardacre, C.; Seddon, K. R.; Compton, R. G. J. Electroanal. Chem. 2003, 556, 179-188
15. Seddon, K. R. In The International George Papatheodorou Symposium: Proceedings; Boghosian, S.; Dracopoulos, V.; Kontoyannis, C. G.; Voyiatzis, G. A., Eds.; Institute of Chemical Engineering and High Temperature Chemical Processes: Patras, Greece, 1999; pp 131-135.
16. Bonhôte, P.; Dias, A.-P.; Papageorgiou, N.; Kalyanasundaram, K.; Gra1tzel, M. Inorg. Chem. 1996, 35, 1168-1178
17. McFarlane, D. R.; Sun, J.; Golding, J.; Meakin, P.; Forsyth, M. J. Electrochim. Acta 2000, 45, 1271-1278
18. Rogers, E. I.; Sljukic, B; Hardacre, C; Compton, R. G. Chem. Eng. Data 2009, 54, 2049-2053
19. Matsumoto, H.; Yanagida, M.; Tanimoto, K.; Nomura, M.; Kitagawa, Y.; Miyazaki, Y. Chem. Lett. 2000, 922-923
20. MacFarlane, D. R.; Meakin, P.; Sun, J.; Amini, N.; Forsyth, M. J. Phys. Chem. B 1999, 103, 4164-4170
21. Sun, J.; Forsyth, M.; MacFarlane, D. R. J. Phys. Chem. B 1998, 102, 8858-8864
22. Tsunashima, K.; Sugiya, M. Electrochem. Commun. 2007, 9, 2353-2358
23. Suarez, P. A. Z.; Selbach, V. M.; Dullius, J. E. L.; Einloft, S.; Piatnicki, C. M. S.; Azambuja, D. S.; Souza, R. F. de; Dupont, J. Electrochim. Acta 1997, 42, 2533-2535
24. Fuller, J.; Carlin, R. T.; Osteryoung, R. A. J. Electrochem. Soc. 1997, 144, 3881-3886
25. Nanjundiah, C.; McDevitt, S. F.; Koch, V. R. J. Electrochem. Soc. 1997, 144, 3392-3397
26. Koch, V. R.; Dominey, L. A.; Nanjundiah, C.; Ondrechen, M. J. J. Electrochem. Soc. 1996, 143, 798-803
27. Arduengo, A. J.; Harlow, R. L.; Kline, M. J. Am. Chem. Soc. 1991, 113, 361
28. Arduengo, A. J.; Dias, H. V. R; Harlow, R. L.; Kline, M. J. Am. Chem. Soc. 1992, 114, 5530
29. Kuhn, H.; Bohnen, H.; Kreutzberg, J.; Bläser, D.; Boese, R. Chem. Commun. 1993, 1136-1137
30. Kroon, M. C.; Buijs, W.; Peters, C. J.; Witkamp, G.-J. Green Chem. 2006, 8, 241-245
31. Maeshima, H.; Moriwake, H.; Kuwabara, A.; Fisher, C. A. J. J. Electrochem. Soc. 2010, 157, A696-A701
32. Ong, S. P.; Andreussi, O.; Wu, Y.; Marzari, N.; Ceder, G. Chem. Mater. 2011, 23, 2979-2986
33. Ong, S. P.; Ceder, G. Electrochim. Acta 2010, 55, 3804-3811
34. McQuarrie, D. A.; Simon, J. D. Molecular Thermodynamics; University Science Books: California, 1999.
35. Frisch, M. J.; Gaussian 09, revision A.1; Gaussian, Inc.: Wallingford, CT, 2009.
36. Marenich, A. V.; Cramer, C. J.; Truhlar, D. G. J. Phys. Chem. B 2009, 113, 6378-6396
37. Howlett, P. C.; Izgorodina, E. I.; Forsyth, M.; MacFarlane, D. R. Z. Phys. Chem. 2006, 220, 1483-1498
38. Weingartner, H. Z. Phys Chem. 2006, 220, 1395-1405
39. Roy, L. E.; Batista, E. R.; Hay, P. J. Inorg. Chem. 2008, 47, 9228-9237
40. Vreven, T.; Byun, K. S.; Komáromi, I.; Dapprich, S.; Montgomery, J. A.; Morokuma, K.; Frisch, M. J. J. Chem. Theory Comput. 2006, 2, 815-826
41. Pohorille, A.; Jarzynski, C.; Chipot, C. J. Phys. Chem. B 2010, 114, 10235-10253
42. Christ, C. D.; Mark, A. E.; van Gunsteren, W. F. J. Comput. Chem. 2010, 31, 1569-1582
43. Bennett, C. H. J. Comput. Phys. 1976, 22, 245
44. Klähn, M.; Seduraman, A.; Wu, P. J. Phys. Chem. B 2011, 115, 8231-8241
45. Grimme, S. J. Chem. Phys. 2006, 124, 034108
46. Van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. C. J. J. Comput. Chem. 2005, 26, 1701-1718
47. Lopes, J. N. C.; Pádua, A. A. H. J. Phys. Chem. B 2004, 108, 16893-16898
48. Lopes, J. N. C.; Pádua, A. A. H. J. Phys. Chem. B 2006, 110, 19586-19592
49. McEwen, A. B.; Ngo, H. L.; LeCompte, K.; Goldman, J. L. J. Electrochem. Soc. 1999, 146, 1687
50. Borodin, O. J. Phys. Chem. B 2009, 113, 11463-11478
51. Kim, J; Shreeve, J. M. Org. Biomol. Chem. 2004, 2, 2728-2734
52. Pringle, J. M.; Golding, J.; Baranyani, K.; Forsyth, C. M.; Deacon, G. B.; Scott, J. L.; MacFarlane, D. R. New J. Chem. 2003, 27, 1504
53. Tsunashima, K.; Ono, Y.; Sugiya, M. Electrochim. Acta 2011, 56, 4351-4355