Rational design of new electrolyte materials for electrochemical double layer capacitors

Journal of Power Sources

Volumn 326, Issue , 2016, Pages 541-548

  Schütter, Christoph ^a,b   Husch, Tamara ^c   Viswanathan, Venkatasubramanian ^d   Passerini, Stefano ^a,b   Balducci, Andrea ^a,b   Korth, Martin ^c  

^a HELMHOLTZ INSTITUTE ULM HIU   (Germany)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF ULM   (Germany)

^d CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

Computational screening; EDLC; Electrolyte materials; Rational design; Solvents

Indexed keywords

CHEMICAL COMPOUNDS; ELECTROLYTES; FORECASTING; SOLVENTS;

CHEMICAL SPACE; EDLC; ELECTROCHEMICAL DOUBLE-LAYER CAPACITORS; ELECTROLYTE MATERIAL; NEW ELECTROLYTES; RATIONAL DESIGN;

ELECTROLYTIC CAPACITORS;

EID: 84989965620     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2016.06.022     Document Type: Article

References (44)

1. [1] Pandolfo, A.G., Hollenkamp, A.F., J. Power Sour. 157 (2006), 11–27.
2. [2] Simon, P., Gogotsi, Y., Nat. Mater. 7 (2008), 845–854.
3. [3] Ruch, P.W., Cericola, D., Foelske, A., Kotz, R., Wokaun, A., Electrochim. Acta 55 (2010), 2352–2357.
4. [4] Ruch, P.W., Cericola, D., Foelske-Schmitz, A., Kotz, R., Wokaun, A., Electrochim. Acta 55 (2010), 4412–4420.
5. [5] Béguin, F., Frąckowiak, E., Supercapacitors Materials, Systems, and Applications. 2013, Wiley-VCH, Weinheim.
6. [6] Azais, P., Duclaux, L., Florian, P., Massiot, D., Lillo-Rodenas, M.A., Linares-Solano, A., Peres, J.P., Jehoulet, C., Beguin, F., J. Power Sour. 171 (2007), 1046–1053.
7. [7] Conte, M., Fuel Cells 10 (2010), 806–818.
8. [8] Miller, J.R., Burke, A.F., Electrochem. Soc. Interface 17 (2008), 53–57.
9. [9] Brandt, A., Isken, P., Lex-Balducci, A., Balducci, A., J. Power Sour. 204 (2012), 213–219.
10. [10] Husch, T., Yilmazer, N.D., Balducci, A., Korth, M., Phys. Chem. Chem. Phys. 17 (2015), 3394–3401.
11. [11] Schütter, C., Husch, T., Korth, M., Balducci, A., J. Phys. Chem. C 119 (2015), 13413–13424.
12. [12] Balbuena, P.B., Wang, Y., Lithium-ion Batteries: Solid-electrolyte Interphase. 2004, Imperial College Press, London.
13. [13] Ferguson, G., Curtiss, L.A., Atomic-level modeling of organic electrolytes in lithium-ion batteries. Applications of Molecular Modeling to Challenges in Clean Energy, 2013, American Chemical Society, 217–233.
14. [14] Leung, K., J. Phys. Chem. C 117 (2013), 1539–1547.
15. [15] Leung, K., Chem. Phys. Lett. 568–569 (2013), 1–8.
16. [16] Bhatt, M.D., O'Dwyer, C., Phys. Chem. Chem. Phys. 17 (2015), 4799–4844.
17. [17] Korth, M., Computational studies of solid electrolyte interphase formation. Chemical Modelling, vol. 11, 2015, The Royal Society of Chemistry, 57–87.
18. [18] Korth, M., Phys. Chem. Chem. Phys. 16 (2014), 7919–7926.
19. [19] Korth, M., Grimme, S., Towler, M.D., J. Phys. Chem. A 115 (2011), 11734–11739.
20. [20] Cheng, L., Assary, R.S., Qu, X., Jain, A., Ong, S.P., Rajput, N.N., Persson, K., Curtiss, L.A., J. Phys. Chem. Lett. 6 (2015), 283–291.
21. [21] Borodin, O., Olguin, M., Spear, C.E., Leiter, K.W., Knap, J., Nanotechnology, 26, 2015, 354003.
22. [22] Husch, T., Korth, M., Phys. Chem. Chem. Phys. 17 (2015), 22596–22603.
23. [23] Husch, T., Korth, M., Phys. Chem. Chem. Phys. 17 (2015), 22799–22808.
24. [24] Khetan, A., Pitsch, H., Viswanathan, V., J. Phys. Chem. Lett. 5 (2014), 1318–1323.
25. [25] Khetan, A., Pitsch, H., Viswanathan, V., J. Phys. Chem. Lett. 5 (2014), 2419–2424.
26. [26] Khetan, A., Luntz, A., Viswanathan, V., J. Phys. Chem. Lett. 6 (2015), 1254–1259.
27. [27] Burke, C.M., Pande, V., Khetan, A., Viswanathan, V., McCloskey, B.D., Proc. Natl. Acad. Sci. U. S. A. 112 (2015), 9293–9298.
28. [28] Aetukuri, N.B., McCloskey, B.D., Garcia, J.M., Krupp, L.E., Viswanathan, V., Luntz, A.C., Nat. Chem. 7 (2015), 50–56.
29. [29] Korth, M., Pitoňák, M., Řezáč, J., Hobza, P., J. Chem. Theory Comput. 6 (2009), 344–352.
30. [30] Korth, M., J. Chem. Theory Comput. 6 (2010), 3808–3816.
31. [31] OPENMOPAC, www.openmopac.net (accessed 15.07.14).
32. [32] Klamt, A., Wiley Interdiscip. Rev. Comput. Mol. Sci. 1 (2011), 699–709.
33. [33] Becke, A.D., Phys. Rev. A 38 (1988), 3098–3100.
34. [34] Perdew, J., Phys. Rev. B 33 (1986), 8822–8824.
35. [35] Becke, A.D., J. Chem. Phys., 98, 1993, 5648.
36. [36] Stephens, P.J., Devlin, F.J., Chabalowski, C.F., Frisch, M.J., J. Phys. Chem. 98 (1994), 11623–11627.
37. [37] Ahlrichs, R., Bär, M., Häser, M., Horn, H., Kölmel, C., Chem. Phys. Lett. 162 (1989), 165–169.
38. [38] TURBOMOLE, V6.4 2012, http://www.turbomole.com, A development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989–2007,TURBOMOLE GmbH, since 2007.
39. [39] Grimme, S., J. Comput. Chem. 27 (2006), 1787–1799.
40. [40] Eichkorn, K., Treutler, O., Öhm, H., Häser, M., Ahlrichs, R., Chem. Phys. Lett. 242 (1995), 652–660.
41. [41] Eichkorn, K., Weigend, F., Treutler, O., Ahlrichs, R., Theor. Chem. Acta 97 (1997), 119–124.
42. [42] Schäfer, A., Huber, C., Ahlrichs, R., J. Chem. Phys., 100, 1994, 5829.
43. [43] Krause, A., Kossyrev, P., Oljaca, M., Passerini, S., Winter, M., Balducci, A., J. Power Sour. 196 (2011), 8836–8842.
44. [44] Pohlmann, S., Balducci, A., Electrochim. Acta 110 (2013), 221–227.