Lithium salt dissociation in non-aqueous electrolytes modeled by ab initio calculations

Solid State Ionics

Volumn 177, Issue 26-32 SPEC. ISS., 2006, Pages 2691-2697

  Johansson, Patrik ^a   Jacobsson, Per ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

C PCM; Coordination; Ion conductivity; Lithium salt; Solvation

Indexed keywords

DISSOCIATION; ELECTROLYTES; FREE ENERGY; LITHIUM COMPOUNDS;

C-PCM; COMPUTATIONAL CHEMISTRY; ION CONDUCTIVITY; LITHIUM SALTS; SOLVATION;

SALTS;

EID: 33750351043     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2006.04.007     Document Type: Article

References (26)

1. Arico A.S., Bruce P., Scrosati B., Tarascon J.M., and van Schalkwijk W. Nat. Mater. 4 (2005) 366
2. Tasaki K. J. Electrochem. Soc. 149 (2002) A418
3. Tasaki K., Kanda K., Nakamura S., and Ue M. J. Electrochem. Soc. 150 (2003) A1628
4. Tasaki K. J. Phys. Chem., B 109 (2005) 2920
5. Barone V., and Cossi M. J. Phys. Chem., A 102 (1998) 1995
6. Cossi M., Rega N., Scalmani G., and Barone V. J. Comput. Chem. 24 6 (2003) 669
7. Eckert F., and Klamt A. AIChE J. 48 (2002) 369
8. Wang Y., Nakamura S., Ue M., and Balbuena P.B. J. Am. Chem. Soc. 123 (2001) 11708
9. Soetens J.-C., Millot C., and Maigret B. J. Phys. Chem., A 102 (1998) 1055
10. Johansson P., Edvardsson M., Adebahr J., and Jacobsson P. J. Phys. Chem., B 107 (2003) 12622
11. Johansson P., Tegenfeldt J., and Lindgren J. Polymer 40 (1999) 4399
12. Johansson P., Béranger S., Armand M., Nilsson H., and Jacobsson P. SSI 156 (2003) 129
13. Johansson P., Markusson H., Jacobsson P., and Armand M. PCCP, Phys. Chem. Chem. Phys. 6 (2004) 895
14. Markusson H., Johansson P., and Jacobsson P. Electrochem. Solid-State Lett. 8 (2005) A215
15. Johansson P., and Jacobsson P. J. Phys. Chem., A 105 (2001) 8504
16. Becke A.D. J. Chem. Phys. 98 (1993) 5648
17. Lee C., Yang W., and Parr R.G. Phys. Rev., B 37 (1988) 785
18. Vosko S.H., Wilks L., and Nusair M. Can. J. Phys. 58 (1980) 1200
19. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
20. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 78 (1997) 1396
21. Møller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
22. Curtiss L.A., Raghavachari K., Redfern P.C., Rassolov V., and Pople J.A. J. Chem. Phys. 109 (1998) 7764
23. Gaussian 03, Revision C.02, M. J. Frisch et al., Gaussian, Inc., Pittsburgh PA (2003).
24. Ding M.S., and Jow T.R. J. Electrochem. Soc. 151 (2004) A2007
25. Videa M., Xu W., Geil B., Marzke R., and Angell C.A. J. Electrochem. Soc. 148 (2001) A1352
26. Barone V., Cossi M., and Tomasi J. J. Chem. Phys. 107 (1997) 3210