140
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manganese–nickel-oxide electrodes with integrated layered–spinel structures for lithium
batteries,” Electrochemistry Communications, vol. 9, no. 2, pp. 262–268, 2007.
15. H. Koga, L. Croguennec, M. Ménétrier, P. Mannessiez, F. Weill, and C. Delmas “Different
oxygen redox participation for bulk and surface: a possible global explanation for the cycling
mechanism of Li 1.20 Mn 0.54 Co 0.13 Ni 0.13 O 2 ,” Journal of Power Sources, 2013.
16. M. Sathiya, K. Ramesha, G. Rousse, D. Foix, D. Gonbeau, A. Prakash, M. Doublet, K.
Hemalatha, and J. M. Tarascon “High performance Li 2 Ru 1−y Mn y O 3 (0.2 ≤ y ≤ 0.8) cathode materials for rechargeable lithium-ion batteries: Their understanding,” Chemistry of
Materials, vol. 25, no. 7, pp. 1121–1131, 2013.
17. A. R. Armstrong, M. Holzapfel, P. Novák, C. S. Johnson, S. H. Kang, M. M. Thackeray,
and P. G. Bruce “Demonstrating oxygen loss and associated structural reorganization in the
lithium battery cathode Li[Ni 0.2 Li 0.2 Mn 0.6 ]O 2 ,” Journal of the American Chemical Society,
vol. 128, no. 26, pp. 8694–8698, 2006.
18. J.-M. Kim, S. Tsuruta, and N. Kumagai, “Electrochemical properties of
Li(Li (1−x)/3 Co x Mn (2−2x)/3 )O 2 (0 ≤ x ≤ 1) solid solutions prepared by poly-vinyl alcohol (PVA) method,” Electrochemistry Communications, vol. 9, no. 1, pp. 103–108,
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no. 1, pp. 315–327, 1999.
20. J. M. Amarilla, J. L. M. De Vidales, and R. M. Rojas “Electrochemical characteristics of
cobalt-doped LiCo y Mn 2−y O 4 (0 ≤ y ≤ 0.66) spinels synthesized at low temperature from
Co x Mn 3−x O 4 precursors,” Solid State Ionics, vol. 127, no. 1–2, pp. 73–81, 2000.
21. L. Guohua, H. Ikuta, T. Uchida, and M. Wakihara “The spinel phases LiM y Mn 2−y O 4 (M = Co,
Cr, Ni) as the cathode for rechargeable lithium batteries,” Journal of the Electrochemical
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22. J. G. Wen, J. Bare˜ no, C. H. Lei, S. H. Kang, M. Balasubramanian, I. Petrov, and D. P.
Abraham, “Analytical electron microscopy of Li 1.2 Co 0.4 Mn 0.4 O 2 for lithium-ion batteries,”
Solid State Ionics, vol. 182, no. 1, pp. 98–107, 2011.
23. J. Bare˜ no, M. Balasubramanian, S. H. Kang, J. G. Wen, C. H. Lei, S. V. Pol, I. Petrov, and
D. P. Abraham, “Long-Range and local structure in the layered oxide Li 1.2 Co 0.4 Mn 0.4 O 2 ,”
Chemistry of Materials, vol. 23, no. 8, pp. 2039–2050, 2011.
24. J. Bréger, M. Jiang, N. Dupré, Y. S. Meng, Y. Shao-Horn, G. Ceder, and C. P. Grey, “Highresolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the
Li 2 MnO 3 –Li[Ni 1/2 Mn 1/2 ]O 2 solid solution,” Journal of Solid State Chemistry, vol. 178, no.
9, pp. 2575–2585, 2005.
25. H. P. Klug and L. E. Alexander, X-Ray Diffraction Procedures. New York: John Wiley and
Sons, 1974.
26. Y. S. Meng, Y. W. Wu, B. J. Hwang, Y. Li, and G. Ceder “Combining ab initio computation with experiments for designing new electrode materials for advanced lithium batteries:
LiNi 1/3 Fe 1/6 Co 1/6 Mn 1/3 O 2 ,” Journal of The Electrochemical Society, vol. 151, no. 8,
pp. A1134–A1140, 2004.
27. S. Ping Ong, L. Wang, B. Kang, and G. Ceder, “Li- Fe- P- O 2 phase diagram from first
principles calculations,” Chemistry of Materials, vol. 20, no. 5, pp. 1798–1807, 2008.
28. A. Jain, G. Hautier, C. J. Moore, S. Ping Ong, C. C. Fischer, T. Mueller, K. A. Persson,
and G. Ceder “A high-throughput infrastructure for density functional theory calculations,”
Computational Materials Science, vol. 50, no. 8, pp. 2295–2310, 2011.
29. S. P. Ong, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, D. Bailey, K. Skinner, K.
Persson, and G. Ceder, http://materialsproject.org, 2011.
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Li x Ni 1−x O solid solution,” Physica Status Solidi (A), vol. 173, no. 2, pp. 357–364, 1999.
References
14. S.-H. Park, S.-H. Kang, C. S. Johnson, K. Amine, and M. M. Thackeray “Lithium–
manganese–nickel-oxide electrodes with integrated layered–spinel structures for lithium
batteries,” Electrochemistry Communications, vol. 9, no. 2, pp. 262–268, 2007.
15. H. Koga, L. Croguennec, M. Ménétrier, P. Mannessiez, F. Weill, and C. Delmas “Different
oxygen redox participation for bulk and surface: a possible global explanation for the cycling
mechanism of Li 1.20 Mn 0.54 Co 0.13 Ni 0.13 O 2 ,” Journal of Power Sources, 2013.
16. M. Sathiya, K. Ramesha, G. Rousse, D. Foix, D. Gonbeau, A. Prakash, M. Doublet, K.
Hemalatha, and J. M. Tarascon “High performance Li 2 Ru 1−y Mn y O 3 (0.2 ≤ y ≤ 0.8) cathode materials for rechargeable lithium-ion batteries: Their understanding,” Chemistry of
Materials, vol. 25, no. 7, pp. 1121–1131, 2013.
17. A. R. Armstrong, M. Holzapfel, P. Novák, C. S. Johnson, S. H. Kang, M. M. Thackeray,
and P. G. Bruce “Demonstrating oxygen loss and associated structural reorganization in the
lithium battery cathode Li[Ni 0.2 Li 0.2 Mn 0.6 ]O 2 ,” Journal of the American Chemical Society,
vol. 128, no. 26, pp. 8694–8698, 2006.
18. J.-M. Kim, S. Tsuruta, and N. Kumagai, “Electrochemical properties of
Li(Li (1−x)/3 Co x Mn (2−2x)/3 )O 2 (0 ≤ x ≤ 1) solid solutions prepared by poly-vinyl alcohol (PVA) method,” Electrochemistry Communications, vol. 9, no. 1, pp. 103–108,
2007.
19. H. Kawai, M. Nagata, H. Kageyama, H. Tukamoto, and A. R. West, “5 V lithium cathodes
based on spinel solid solutions Li 2 Co 1+X Mn 3−X O 8 :-1 ≤ x ≤ 1,” Electrochimica Acta, vol. 45,
no. 1, pp. 315–327, 1999.
20. J. M. Amarilla, J. L. M. De Vidales, and R. M. Rojas “Electrochemical characteristics of
cobalt-doped LiCo y Mn 2−y O 4 (0 ≤ y ≤ 0.66) spinels synthesized at low temperature from
Co x Mn 3−x O 4 precursors,” Solid State Ionics, vol. 127, no. 1–2, pp. 73–81, 2000.
21. L. Guohua, H. Ikuta, T. Uchida, and M. Wakihara “The spinel phases LiM y Mn 2−y O 4 (M = Co,
Cr, Ni) as the cathode for rechargeable lithium batteries,” Journal of the Electrochemical
Society, vol. 143, no. 1, pp. 178–182, 1996.
22. J. G. Wen, J. Bare˜ no, C. H. Lei, S. H. Kang, M. Balasubramanian, I. Petrov, and D. P.
Abraham, “Analytical electron microscopy of Li 1.2 Co 0.4 Mn 0.4 O 2 for lithium-ion batteries,”
Solid State Ionics, vol. 182, no. 1, pp. 98–107, 2011.
23. J. Bare˜ no, M. Balasubramanian, S. H. Kang, J. G. Wen, C. H. Lei, S. V. Pol, I. Petrov, and
D. P. Abraham, “Long-Range and local structure in the layered oxide Li 1.2 Co 0.4 Mn 0.4 O 2 ,”
Chemistry of Materials, vol. 23, no. 8, pp. 2039–2050, 2011.
24. J. Bréger, M. Jiang, N. Dupré, Y. S. Meng, Y. Shao-Horn, G. Ceder, and C. P. Grey, “Highresolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the
Li 2 MnO 3 –Li[Ni 1/2 Mn 1/2 ]O 2 solid solution,” Journal of Solid State Chemistry, vol. 178, no.
9, pp. 2575–2585, 2005.
25. H. P. Klug and L. E. Alexander, X-Ray Diffraction Procedures. New York: John Wiley and
Sons, 1974.
26. Y. S. Meng, Y. W. Wu, B. J. Hwang, Y. Li, and G. Ceder “Combining ab initio computation with experiments for designing new electrode materials for advanced lithium batteries:
LiNi 1/3 Fe 1/6 Co 1/6 Mn 1/3 O 2 ,” Journal of The Electrochemical Society, vol. 151, no. 8,
pp. A1134–A1140, 2004.
27. S. Ping Ong, L. Wang, B. Kang, and G. Ceder, “Li- Fe- P- O 2 phase diagram from first
principles calculations,” Chemistry of Materials, vol. 20, no. 5, pp. 1798–1807, 2008.
28. A. Jain, G. Hautier, C. J. Moore, S. Ping Ong, C. C. Fischer, T. Mueller, K. A. Persson,
and G. Ceder “A high-throughput infrastructure for density functional theory calculations,”
Computational Materials Science, vol. 50, no. 8, pp. 2295–2310, 2011.
29. S. P. Ong, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, D. Bailey, K. Skinner, K.
Persson, and G. Ceder, http://materialsproject.org, 2011.
30. E. Antolini “Hexagonal-to-cubic phase transition by Li 2 O evaporation from ordered
Li x Ni 1−x O solid solution,” Physica Status Solidi (A), vol. 173, no. 2, pp. 357–364, 1999.