A first principles investigation of new cathode materials for advanced lithium batteries

Journal of Electroceramics

Volumn 17, Issue 2-4, 2006, Pages 667-671

  Jeon, Young Ah ^a   Kim, Sung Kwan ^a   Kim, Yang Soo ^a   Won, Dae Hee ^b   Kim, Byung Il ^b   No, Kwang Soo ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b Sunchon National University   (South Korea)

Author keywords

First principles calculations; Li(Ni 1 3Mn1 3M1 3)O2 (M = Al, Ti, Cr, Fe and Mo); Lithium ion batteries; Solid state redox reactions

Indexed keywords

FIRST PRINCIPLES CALCULATIONS; INTERATOMIC DISTANCES; LITHIUM ION BATTERIES; SOLID-STATE REDOX REACTIONS;

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; LITHIUM BATTERIES; REDOX REACTIONS; SUBSTITUTION REACTIONS; VOLTAGE CONTROL;

CATHODES;

EID: 33847212532     PISSN: 13853449     EISSN: 15738663     Source Type: Journal    
DOI: 10.1007/s10832-006-7674-5     Document Type: Conference Paper

References (26)

1. T. Ohzuku and Y. Makimura, Chem. Lett., 744 (2001).
2. Z. Lu, D.D. MacNeil, and J. M. Rosolen, J. Electrochem. Soc., 147, 1651 (2000).
3. J.P. Zheng and T.R. Jow, J. Power Sources, 62, 155 (1996).
4. Z. Lu and J.R. Dann, J. Electrochem. Soc. 149, A815 (2002).
5. K.M. Shaju, G.V. Subba Rao, and B.V.R. Chowdari, Elecrochem. Acta, 48, 1505 (2003).
6. J.S. Kim, C.S. Johnson, and M.M. Thackerary, Electrochem. Commun., 4, 205 (2002).
7. D.D. MacNeil, Z. Lu, and J. R. Dahn, J. Electrochem. Soc., 149, A1332 (2002).
8. Y. Adachi, H. Kobayashi, S. Emura, Y. Nakata, M. Tanaka, and T. Asai, Chem. Lett., 32, 60 (2003).
9. J. Reed and G. Ceder, Electrochem. Solid-State Lett., 5, A145 (2002).
10. N. Yabuuchi and T. Ohzuku, J. Power Sources, 119, 171 (2003).
11. J.V. McCanny, J. Phys. C, 12, 3263 (1979).
12. T. Amriou et al., J. Power Sources, 130, 213 (2004).
13. R. Koksbang, J. Baker et al., Solid State Ionics, 84(1), 1 (1996).
14. S.G. Youn, I.H. Lee et al., J. Power Sources, 108, 97 (2002).
15. H.A. Lehmann, H. Hesselbarth et al., Allg. Chem., 313, 117 (1961).
16. Y.I. Jang, B. Huang et al., Electrochem. Solid State Lett., 1, 13 (1998).
17. K. Ado, M. Tabuchi, H. Kobayashi et al., J. Electrochem. Soc., 144, L177 (1997).
18. F. Capitaine, P. Gravereau, and C. Damas, Solid State Ion., 89, 197 (1996).
19. K.I. Pandya et al., J. Phys. Chem., 94, 21 (1990).
20. A.N. Mansour, J. Phys. Chem. A., 102, 65 (1998).
21. D. de Fomtaine, In: Solid State Physics, Ehrenreich, H., Turnbull, D. (Eds.), Vol. 47 (Academic Peress, New York, 1994), p. 33.
22. G. Ceser, Y.M. Chiang, D.R. Sadoway, M.K. Aydinol, Y.I. Jang, and B. Huan, Nature, 392, 694 (1998).
23. J.B. Goodenough, Gerneral Concepts, in Lithium Ion Batteries: Fundamentals and Performance, (Wiley-VCM, Weinheim, 1998).
24. G. Ceder, A. Van Der Ven et al., Minerals and Materials, 50(9), 35 (1998).
25. Y.A. Jeon, Y.S. Kim et al., Bulletin of the Society for Discrete Variational Xα, 17(1), 116 (2004).
26. M.K. Aydinol, A.F. Kohan, and G. Ceder, Phys. Rev. B., 56(3), 1354 (1997).