Structure, Electrode Voltage and Activation Energy of LiMnxCoyNii_x_yO2 Solid Solutions as Cathode Materials for Li Batteries from First-Principles

Journal of the Electrochemical Society

Volumn 159, Issue 8, 2012, Pages A1203-A1208

  Luo, Gaixia ^a,b   Sun, Houqian ^a   Wang, Baolin ^a   Zhao, Jijun ^b,b   Zhang, Pengbo ^b   Ke, Xuezhi ^c  

^a YANCHENG INSTITUTE OF TECHNOLOGY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c EAST CHINA NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85016857861     PISSN: 00134651     EISSN: 19457111     Source Type: Journal    
DOI: 10.1149/2.025208jes     Document Type: Article

References (68)

1. M. Armand and J. Tarascon, Nature, 451, 652 (2008).
2. A. Prakash, P. Manikandan, K. Ramesha, M. Sathiya, J. Tarascon, and A. Shukla, Chem. Mater, 22, 2857 (2010).
3. M. Jiang, B. Key, Y. S. Meng, and C. P. Grey, Chem. Mater, 21, 2733 (2009).
4. C. Kim, M. Noh, M. Choi, J. Cho, and B. Park, Chem. Mater, 17, 3297 (2005).
5. K. Mizushima, P. Jones, P. Wiseman, and J. Goodenough, Mater. Res. Bull., 15, 783 (1980).
6. K. Mizushima, P. C. Jones, P. J. Wiseman, and J. B. Goodenough, Mater Res. Bull., 15, 783 (1980).
7. D. Huang, Adv. Battery Technol., 11, 23 (1998).
8. H. Yan, X. Huang, L. Zhonghua, H. Huang, R. Xue, and L. Chen, J. Power Sources, 68, 530 (1997).
9. Y. Zhou, C. Shen, and H. Li, Solid State Ionics, 146, 81 (2002).
10. X. Zhu, Z. Guo, G. Du, P. Zhang, and H. Liu, Surf. Coat. Technol, 204, 1710 (2010).
11. J. Zhao, L. Wang, X. He, C. Wan, and C. Jiang, Int. J. Electrochem. Sci., 5, 478 (2010).
12. H. Zhang, P. J. Baker, and P. S. Grant, J. Am. Ceram. Soc., 93, 1856 (2010).
13. P. Kalyani and N. Kalaiselvi, Sci. Technol. Adv. Mat., 6, 689 (2005).
14. C. Delmas and L. Croguennec, MRS Bull., 27, 608 (2002).
15. M. E. Spahr, P. Novák, B. Sehnyder, O. Haas, and R. Nesper, J. Electrochem. Soc., 145,1113 (1998).
16. B. J. Hwang, Y. W. Tsai, R. Santhanam, Y. W. Wu, S. G. Hu, J. F. Lee, and D. G. Liu, J. Power Sources, 123, 206 (2003).
17. K.M. Shaju, G. V. Subba Rao, and B.V.R. Chowdari, Electrochim. Acta, 48, 145 (2002).
18. A. R. Armstrong, N. Dupre, A. J. Paterson, C. P. Grey, and P. G. Bruce, Chem. Mater, 16,3106 (2004).
19. Z.P. Guo, K. Konstantinov, G. X. Wang, H. K. Liu, and S. X. Dou, J. Power Sources, 119-121,221 (2003).
20. I. Tomeno, Y. Kasuya, and Y. Tsunoda, Phy. Rev. B, 64, 094422 (2001).
21. M. Segall, R. Shah, C. Pickard, and M. Payne, Phy. Rev. B, 54, 16317 (1996).
22. T. Ohzuku, A. Ueda, M. Nagayama, Y. Iwakoshi, and H. Komori, Electrochim. Acta, 38,1159 (1993).
23. G. Vitins and K. West, J. Electrochem. Soc., 144, 2587 (1997).
24. Y. I. Jang, B. Huang, Y. M. Chiang, and D. R. Sadoway, Electrochem. Solid-State Lett., 1, 13 (1998).
25. C. Wolverton and A. Zunger, Phy. Rev. B, 57, 2242 (1998).
26. C. Wolverton and A. Zunger, Phy. Rev. Lett., 81, 606 (1998).
27. S. Laubach, P. C. Schmidt, D. Ensling, S. Schmid, W. Jaegermann, A. Thi, K. Nikolowski, and H. Ehrenberg, Phys. Chem. Chem. Phys., 11, 3278 (2009).
28. L. Wang, J. Li, X. He, W. Pu, C. Wan, and C. Jiang, J. Solid State Electrochem., 13, 1157 (2009).
29. Y. A. Jeon, S. K. Kim, Y. S. Kim, D. H. Won, B. I. Kim, and K. S. No, J. Electroce-ram., 17, 667 (2006).
30. D. D. MacNeil, T. D. Hatchard, and J. R. Dahn, J. Electrochem. Soc., 148, A663 (2001).
31. S. Jouanneau, K. W. Eberman, L. J. Krause, and J. R. Dahn, J. Electrochem. Soc., 150, A1637 (2003).
32. S. Jouanneau, W. Bahmet, K. W. Eberman, L. J. Krause, and J. R. Dahn, J. Electrochem. Soc., 151 (2004).
33. V. Meunier, J. Kephart, C. Roland, and J. Bernholc, Phy. Rev. Lett., 88,75506 (2002).
34. M. V. Koudriachova, N. M. Harrison, and S. W. d. Leeuw, Phy. Rev. Lett., 86, 1275 (2001).
35. S. Shi, L. Liu, C. Ouyang, D.-s. Wang, Z. Wang, L. Chen, and X. Huang, Phy. Rev B, 68, 195108 (2003).
36. J. Reed and G. Ceder, Electrochem. Solid-State Lett., 5, A145 (2002).
37. G. Ceder, M. K. Aydinol, and A. F. Kohan, Comput. Mater. Science, 8, 161 (1997).
38. Y. Koyama, I. Tanaka, H. Adachi, Y. Uchimoto, and M. Wakihara, J. Electrochem. Soc., 150, A63 (2003).
39. Y. Koyama, N. Yabuuchi, I. Tanaka, H. Adachi, and T. Ohzuku, J. Electrochem. Soc., 151, A1545 (2004).
40. T. Motohashi, T. Ono, Y. Sugimoto, Y. Masubuchi, S. Kikkawa, R. Kanno, M. Karppinen, and H. Yamauchi, Phy. Rev. B, 80, 165114 (2009).
41. K. Kang and G. Ceder, Phy. Rev B, 74, 094105 (2006).
42. M. Okubo, Y. Tanaka, H. Zhou, T. Kudo, and I. Honma, J. Phys. Chem. B, 113, 2840 (2009).
43. A. Van der Ven and G. Ceder, J. Power Sources, 97-98, 529 (2001).
44. T. Okumura, T. Fukutsuka, Y. Uchimoto, N. Sakai, K. Yamaji, and H. Yokokawa, J. Power Sources, 189, 643 (2009).
45. K. Kang, Y. S. Meng, J. Bréger, C. P. Grey, and G. Ceder, Science, 311, 977 (2006).
46. A. Van der Ven and G. Ceder, Electrochem. Solid-State Lett., 3, 302 (2000).
47. Y. Koyama, I. Tanaka, H. Adachi, Y. Makimura, and T. Ohzuku, J. Power Sources, 119-121, 644 (2003).
48. Y. S. Meng, Y. W. Wu, B. J. Hwang, Y. Li, and G. Cedera, J. Electrochem. Soc., 151, A1134 (2004).
49. B. J. Hwang, Y. W. Tsai, D. Carlier, and G. Ceder, Chem. Mater., 15, 3676 (2003).
50. C. Madhu, J. Garrett, and V. Manivannan, Ionics, 16, 591 (2010).
51. Y. Koyama, I. Tanaka, H. Adachi, Y. Makimura, and T. Ohzuku, J. Power Sources, 119-121, 644 (2003).
52. A. R. Armstrong and P. G. Bruce, Nature, 381, 499 (1996).
53. T. Ohzuku and Y. Makimura, Chem. Lett., 30, 744 (2001).
54. Z. Lu, D. D. MacNeil, and J. R. Dahn, Electrochem. Solid-State Lett., 4, A191 (2001).
55. G. Kresse and J. fürthmüller, Comput. Mater Science, 6, 15 (1996).
56. P. E. Blöchl, Phy. Rev. B, 50,17953 (1994).
57. G. Kresse and J. Hafner, Phy. Rev. B, 48,13115 (1993).
58. J. P. Perdew, K. Burke, and M. Ernzerhof, Phy. Rev. Lett., 77, 3865 (1996).
59. G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys., 113, 9901 (2000).
60. J. H. Kim, C. W. Park, and Y. K. Sun, Solid State Ionics, 164,43 (2003).
61. S. Dou and W. Wang, J. Solid State Electrochem., 15, 399 (2011).
62. R. Mulliken, J. Chem. Phys., 23,1841 (1955).
63. G. G. Amatucci, J. M. Tarascon, and L. C. Klein, J. Electrochem. Soc., 143, 1114 (1996).
64. T. Ohzuku and A. Ueda, J. Electrochem. Soc., 144, 2780 (1997).
65. M. K. Aydinol, A. F. Kohan, G. Ceder, K. Cho, and J. Joannopoulos, Phy. Rev. B, 56, 1354 (1997).
66. G.H. Vineyard, J. Phys. Chem. Solids, 3,121 (1957).
67. L. Pauling, The Nature of the Chemical Bond, Cornell Univ., USA, (1960).
68. T. Ohzuku and Y. Makimura, Chem. Lett., 30, 642 (2001).