On the energetic stability and electrochemistry of Li2MnSiO 4 polymorphs

Chemistry of Materials

Volumn 20, Issue 17, 2008, Pages 5574-5584

  Arroyo DeDompablo, M E ^a   Dominko, R ^b,c   Gallardo Amores, J M ^a   Dupont, L ^d   Mali, G ^b   Ehrenberg, H ^e   Jamnik, J ^b   Moran E ^a  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^c ALISTORE European Research Institute   (France)

^d UNIVERSITÉ DE PICARDIE JULES VERNE   (France)

^e IFW DRESDEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

LITHIUM;

ENERGETIC STABILITY;

THERMODYNAMIC STABILITY;

EID: 52649107564     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm801036k     Document Type: Article

References (32)

1. Dominko, R.; Bele, M.; Gaberscek, M.; Meden, A.; Remskar, M.; Jamnik, J. Electrochem. Commun. 2006, 8 (2), 217-222.
2. Nyten, A.; Abouimrane, A.; Armand, M.; Gustafsson, T.; Thomas, J. O. Electrochem. Commun. 2005, 7 (2), 156-160.
3. Yang, Y.; Li, Y.; Gong, Z. Presented at the 12th International Meeting on Lithium Batteries, June 13-18, Biarritz, France, 2006; The Electrochemical Society: Pennington, NJ, 2006; Abstract 210.
4. Lyness, C.; Delobel, B.; Armstrong, A. R.; Bruce, P. Chem. Commun. 2007, 46, 4890-4892.
5. Keffer, C.; Michell, A.; Mauer, F.; Swanson, H.; Block, S. Inorg. Chem 1966, 6(1), 119-125.
6. West, A. R.; Glasser, F. P. J. Solid State Chem. 1972, 4, 20-28.
7. Politaev, V. V.; Petrenko, A. A.; Nalbandyan, V. B.; Medvedev, B. S.; Shvetsova, E. S. J. Solid State Chem. 2007, 180, 1055-1060.
8. Pickard, C. J.; Richard, J. N. Nat. Phys. 2007, 3, 473-476.
9. Balog, P.; Orosel, D.; Cancarevic, Z.; Schön, C.; Jansen, M. J. Alloys Compd. 2007, 429, 87-98.
10. Gallardo-Amores; J. M.; Biskup, N.; Amador, U.; Persson, K.; Ceder, G.; Moran, E.; Arroyo, y. de; Dompablo, M. E. Chem. Mater. 2007, 19 (122), 5262-5271.
11. Oganov, A. R.; Ono, S. Nature 2004, 430, 445-448.
12. Galli, G.; Martin, R. M.; Car, R.; Parrinello, M. Science 1990, 250, 1547-1549.
13. Grumbach, M. P.; Martin, R. M. Phys. Rev. B 1996, 54, 2471-2474.
14. Bonev, S. A.; Gygi, F.; Ogitsu, T.; Galli, G. ; Phys. Rev. Letters 2003, 91, 065501.
15. Hamann, D. R. Phys. Rev. Lett. 1996, 76 (14), 660-663.
16. Meden, A. In preparation (17) Zemann, J. Acta Crystallogr., Sect. B 1960, 13, 863.
17. Bloch, P. E. Phys. Rev. B 1994, 50, 17953.
18. Kresse, G.; Joubert, J. Phys. Rev. B 1999, 59, 1758.
19. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 15, 6.
20. Zhou, F.; Cococcioni, M.; Marianetti, C. A.; Morgan, D.; Ceder, G. Phys. Rev. B 2004, 15, 235121-1.
21. Wang, L.; Maxisch, T.; Ceder, G. Phys. Rev. B 2006, 73, 1195107-1-195107-6.
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77 (18), 3865-3868.
23. Murnaghan, F. D. Proc Natl. Acad. Sci., U.S.A. 1944, 30, 244.
24. Morgan,D.;Curtarolo,S.;Ceder,G.;http://burgaz.mit.edu/PUBLICATIONS/ codes. php
25. Spek, A. L. J.Appl.Cryst. 2003, 36, 7-13.
26. Carvajal, J. R. See also a report in CPD of IUCr, Newsletter 26, (2001) 12; available at http://www.iucr.org/iucr-top/comm/cpd/Newsletters. 1993, 55
27. Riedener, T.; Yongrong Shen, Y.; Smith, R. J.; Bray, K. L. Chem. Phys. Lett. 2000, 321, 445.
28. Quoirin, G.; Dupont, L.; Taulelle, F.; Masquelier, C. Presented at the 12th International Meeting on Lithium Batteries, June 18-23, Biarritz, France, 2006; The Electrochemical Society: Pennington, NY, 2006.
29. Aydinol, M. K.; Kohan, A. F.; Ceder, G.; Cho, K.; Joannopoulos, J. Phys. Rev. B 1997, 56 (3), 1354-1365.
30. Arroyo-de Dompablo, M. E.; Armand, M.; Tarascon, J.-M.; Amador, U. Electrochem. Commun. 2006, 8 (8), 1292-1298.
31. Le Bacq, O.; Pasturel, A.; Bengone, O. Phys. Rev. B 2004, 69 (24), 245107.
32. Kokalj, A.; Dominko, R.; Mali, G.; Meden, A.; Gaberscek, M.; Jamnik, J. Chem. Mater. 2007, 198 (15), 36333640) .