Effects of Na-substitution on structural and electronic properties of Li2CoSiO4 cathode material

Transactions of Nonferrous Metals Society of China (English Edition)

Volumn 19, Issue 1, 2009, Pages 182-186

  WU, Shun qing ^a   ZHU, Zi zhong ^a   YANG, Yong ^b   HOU, Zhu feng ^c  

^a XIAMEN UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

^c FUDAN UNIVERSITY   (China)

Author keywords

dilithium cobalt orthosilicate; electronic structures; Na substitution; structural properties

Indexed keywords

CATHODES; COBALT; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRON MOBILITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PROGRAMMING THEORY; TRANSITION METALS;

CATHODE MATERIALS; DENSITY-FUNCTIONAL (DF); DILITHIUM COBALT ORTHOSILICATE; ELECTRONIC STRUCTURES; INTERLAYER SPACES; ION DIFFUSION; LATTICE EXPANSIONS; NA-SUBSTITUTION;

STRUCTURAL PROPERTIES;

EID: 58649113442     PISSN: 10036326     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-6326(08)60249-6     Document Type: Article

References (23)

1. PADHI A.K., NANJUNDASWAMY K.S., and GOODENOUGH J.B. Phospho-olivines as positive-electrode materials for rechargeable lithium batteries [J]. Journal of The Electrochemical Society 144 4 (1997) 1188-1194
2. 4 as 4.8 V electrode material for lithium batteries [J]. Electrochemical and Solid-State Letters 3 4 (2000) 178-179
3. 4 as the cathode for lithium batteries [J]. Electrochemical and Solid-State Letters 5 6 (2002) A135-A137
4. 2-coated cathode materials in lithium-ion batteries [J]. Journal of Physical Chemistry B 108 (2004) 17546-17552
5. 4 as a new Li-battery cathode material [J]. Electrochemistry Communications 7 (2005) 156-160
6. 4 as potential Li-battery cathode materials [J]. Electrochemistry Communications 8 (2006) 217-222
7. 4 as a cathode material for lithium-ion batteries [J]. Electrochemical and Solid-State Letters 9 12 (2006) A542-A544
8. 4/C nanocomposite cathode material for lithium ion batteries [J]. Journal of Power Sources 174 (2007) 528-532
9. 4 as cathode material for lithium ion batteries [J]. Journal of Power Sources 174 (2007) 524-527
10. 4 and its behaviour as a positive electrode for lithium batteries [J]. Chemical Communications (2007) 4890-4892
11. 4 electrode material synthesized through hydrothermal- assisted sol-gel process [J]. Electrochemical and Solid-State Letters 11 5 (2008) A60-A63
12. 4 [J]. Electrochemistry Communications 8 (2006) 797-800
13. 4 system (M=Fe, Mn, Co, Ni) [J]. Electrochemistry Communications 8 (2006) 1292-1298
14. 4 [J]. Current Applied Physics 7 (2007) 611-616
15. 4 (M=Mn, Fe, Co, Ni): A GGA and GGA + U study [EB/OL]. Computational Materials Science, doi:10.1016/j.commatsci.2008.08.014.
16. KRESSE G., and JOUBERT D. From ultrasoft pseudopotentials to the projector augmented-wave method [J]. Physical Review B 59 3 (1999) 1758-1775
17. KRESSE G., and FURTHMULLER J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J]. Physical Review B 54 16 (1996) 11169-11186
18. KRESSE G., and FURTHMULLER J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J]. Computational Materials Science 6 (1996) 15-50
19. PERDEW J.P., BURKE K., and ERNZERHOF M. Generalized gradient approximation made simple [J]. Physical Review Letters 77 18 (1996) 3865-3868
20. DUDAREV S.L., BOTTON G.A., SAVRASOV S.Y., HUMPHREYS C.J., and SUTTON A.P. Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study [J]. Physical Review B 57 3 (1998) 1505-1509
21. MONKHORST H.J., and PACK J.D. Special points for Brillouin-zone integrations [J]. Physical Review B 13 12 (1976) 5188-5192
22. VEGARD L. The constitution of the mixed crystals and the filling of space of the atoms [J]. Zeitschrift für Physik 5 1 (1921) 17-26
23. SHANNON R.D. Revised effective ionic radii and systematic studies of interatomie distances in halides and chaleogenides [J]. Acta Crystallographica A32 (1976) 751-767