Theoretical investigations on oxidative stability of solvents and oxidative decomposition mechanism of ethylene carbonate for lithium ion battery use

Journal of Physical Chemistry B

Volumn 113, Issue 52, 2009, Pages 16596-16602

  Xing, Lidan ^a   Li, Weishan ^a   Wang, Chaoyang ^a   Gu, Fenglong ^a   Xu, Mengqing ^a   Tan, Chunlin ^a   Yi, Jin ^a  

^a SOUTH CHINA NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ALDEHYDES; CARBONATION; COORDINATION REACTIONS; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ETHYLENE; LITHIUM; LITHIUM ALLOYS; LITHIUM BATTERIES; MOLECULES; OLIGOMERS; OXIDATION; OXIDATION RESISTANCE; POSITIVE IONS; PROPYLENE; SOLVENTS;

DIELECTRIC CONSTANTS; DIETHYL CARBONATES; DIMETHYL CARBONATE; DIOXOLANE; ETHYL METHYL CARBONATE; ETHYLENE CARBONATE; GASPHASE; HIGH ACTIVATION ENERGY; LITHIUM-ION BATTERY; ONE-ELECTRON OXIDATION; OXIDATIVE DECOMPOSITION; OXIDATIVE STABILITY; PREFERENTIAL OXIDATION; PROPYLENE CARBONATE; RADICAL CATIONS; SOLVENT MOLECULES; THEORETICAL INVESTIGATIONS;

ELECTRIC CONDUCTIVITY MEASUREMENT;

EID: 73349089346     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9074064     Document Type: Article

References (29)

1. Wang, Q.; Evans, N.; Zakeeruddin, S. M.; Exnar, I.; Grätzel, M. J. Am, Chem. Soc. 2007, 129, 3163.
2. Xu, K. Chem. Rev. 2004, 104, 4303.
3. Tarascon, J. M.; Armand, M. Nature 2001, 414, 359.
4. Armstrong Robert, A.; Tee, D. W.; Mantia, F. L.; Novǎk, P.; Bruce, P. G. J. Am, Chem. Soc. 2008, 130, 3554.
5. Tasaki, K. J. Phys. Chem. B 2005, 109, 2920.
6. Aurbach, D.; Levi, M. D.; Levi, E.; Schechter, A. J. Phys. Chem. B 1997, 101, 2195.
7. Wang, L.; Maxisch, T.; Ceder, G. Chem. Mater. 2007, 19, 543.
8. Zhang, H. L.; Sun, C. H.; Li, F.; Liu, C; Tan, J. H.; Cheng, M. J. Phys. Chem. C 2007, 111, 4740.
9. Xing, L. D.; Wang, C. Y.; Xu, M. Q.; Li, W. S.; Cai, Z. P. J. Chem. Soc. 2009, 189, 689.
10. Wang, Y. X.; Nakamura, S.; Tasaki, K.; Balbuena, P. B. J. Am. Chem. Soc. 2002, 124, 4408.
11. Aurbach, D.; Gamolsky, K.; Markovsky, B.; Gofer, Y.; Schmidt, M.; Heider, U. Electrochim. Acta 2003, 47, 1423.
12. Wrodnigg, G. H.; Besenhard, .T. O.; Winter, M. J. Electrochem. Soc. 1999, 146, 470.
13. Ota, H; Sato, T.; Suzuki, H.; Usami, T. J. Power Sources 2001, 97-98, 107.
14. Xu, M. Q.; Li, W. S.; Lucht, B. L. J. Power Sources 2009, 193, 804.
15. Xu, M. Q.; Xing, L. D.; Li, W. S.; Zuo, X. X. J. Power Sources 2008, 184, 427.
16. Zhang, S. S. J. Power Sources 2006, 162, 1394.
17. Matsuta, S.; Kato, Y.; Ota, T.; Kurokawa, H.; Yoshimura, S.; Fujitani, S. J. Electrochem. Soc. 2001, 148, A7.
18. Ufheil, J.; Wursig, A.; Schneider, O. D.; Novak, P. Electrochem. Commun. 2005, 7, 1380.
19. Arakawa, M.; Yamaki, J. J. Power Sources 1995, 54, 250.
20. Moshkovich, M.; Cojocaru, M.; Gottlieb, H. E.; Aurbach, D. J. Electroanal Chem. 2001, 497, 84.
21. Zhang, X. R.; Pugh, J. K.; Ross, P. N. J. Electrochem. Soc. 2001, 148, E183.
22. Xu, K.; Angell, C. A. J. Electrochem. Soc. 1998, 145, L70.
23. Xu, K.; Ding, S.; Jow, T. R. J. Electrochem, Soc. 1999, 146, 4172.
24. Xing, L. D.; Wang, C. Y.; Li, W. S.; Xu, M. Q.; Meng, X. L.; Zhao, S. F. J. Phy. Chem. B 2009, 113, 5181.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, Jr. T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R,; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, PM W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J.A. Gaussian 03, Reversion B.05; Gaussian Inc.: Pittsburgh, PA, 2003.
26. Abbotto, A.; Stteitwieser, A.; Schleyer, P. R. J. Am, Chem. Soc. 1997, 119, 11255.
27. Wang, Y.; Balbuena, P. B. J.Phys. Chem. A 2001, 105, 9972.
28. Joho, F.; Novǎk, P. Electrochem. Aata 2000, 45, 3589.
29. Matsushita, T.; Dokko, K.; Kanamura, K. J. Power Sources 2005, 146, 360.