Structural and electrochemical properties of aluminium doped LiMn2O4 cathode materials for Li battery: Experimental and ab initio calculations

Sustainable Energy Technologies and Assessments

Volumn 5, Issue , 2014, Pages 44-49

  Kebede, Mesfin A ^a   Phasha, Maje J ^a   Kunjuzwa, Niki ^a   le Roux, Lukas J ^a   Mkhonto, Donald ^a   Ozoemena, Kenneth I ^a   Mathe, Mkhulu K ^a  

^a DSI CSIR Nanotechnology Innovation Centre   (South Africa)

Author keywords

Ab initio calculations; Al doped LiMn2O4; Combustion method; Experimental; Li battery

Indexed keywords

AB INITIO CALCULATIONS; COMBUSTION METHOD; EXPERIMENTAL; LI BATTERIES; LIMN2O4;

ALUMINUM; CATHODES; COMBUSTION; ELECTROCHEMICAL PROPERTIES; ENERGY DISPERSIVE SPECTROSCOPY; LITHIUM; LITHIUM BATTERIES; MANGANESE; SCANNING ELECTRON MICROSCOPY; UREA; X RAY DIFFRACTION; X RAY POWDER DIFFRACTION;

CALCULATIONS;

ALUMINUM; COMBUSTION; ELECTROCHEMISTRY; EXPERIMENTAL STUDY; LATTICE DYNAMICS; LITHIUM; MANGANESE;

EID: 84890827640     PISSN: 22131388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.seta.2013.11.005     Document Type: Article

References (29)

1. Thackeray M.M., Wolverton C., Isaacs E.D. Electrical energy storage for transportation-approaching the limits of, and going beyond, lithium-ion batteries. Energy Environ Sci 2012, 5:7854-7863.
2. Winter M., Brodd R.J. What are batteries, fuel cells, and supercapacitors?. Chem Rev 2004, 104:4245-4270.
3. Arico A.S., Bruce P., Scrosati B., Tarascon J., Van Schalkwijk W. Nanostructured materials for advanced energy conversion and storage devices. Nat Mater 2005, 4:366-377.
4. Masquelier C., Croguennec L. Polyanionic (phosphates, silicates, sulfates) frameworks as electrode materials for rechargeable Li (or Na) batteries. Chem Rev 2013, 113:6552-6591.
5. 4 cathode active material by lithium borosilicate (LBS) surface coating for lithium-ion batteries. J Alloys Compd 2011, 509:4235-4241.
6. 4 with improved high-rate cyclability in aqueous electrolyte. J Power Sources 2010, 195:5032-5038.
7. 4 as high performance cathode for lithium ion batteries. Electrochim Acta 2013, 88:745-755.
8. 4 by the ultrasonic assisted rheological phase method. Electrochim Acta 2006, 51:4701-4708.
9. 4 synthesized by a polymer-pyrolysis method. Electrochim Acta 2008, 54:545-550.
10. y cathode material by the citric acid-assisted sol-gel method. Ionics 2009, 15:177-182.
11. 4 spinels as cathode material for use in lithium rechargeable batteries. J Power Sources 2009, 187:565-574.
12. 4 spinel, synthesized by citric acid sol-gel method. J Power Sources 2001, 102:326-331.
13. 4 spinel nanoparticles as cathode materials in secondary Li batteries. J Electrochem Soc 2004, 151:A590-A598.
14. Wu S., Chen H. The effects of heat-treatment temperature on the retention capacities of spinels prepared by the Pechini process. J Power Sources 2003, 119:134-138.
15. 4 spinel synthesized by the emulsion drying method. J Electrochem Soc 2001, 148:A482-A489.
16. Grechnev G., Ahuja R., Johansson B., Eriksson O. Electronic structure and magnetic properties of lithium manganese spinels. J Magn Magn Mater 2003, 258:287-289.
17. 4 spinels. J Mater Chem 2000, 10:1437-1441.
18. Mishra S., Ceder G. Structural stability of lithium manganese oxides. Phys Rev B 1999, 59:6120.
19. 4 (0
20. Phasha M., Ngoepe P. An alternative DFT-based model for calculating structural and elastic properties of random binary HCP, FCC and BCC alloys: Mg-Li system as test case. Intermetallics 2012, 21:88-96.
21. Clark S.J., Segall M.D., Pickard C.J., Hasnip P.J., Probert M.I., Refson K., et al. First principles methods using CASTEP. Z Kristallogr 2005, 220:567-570.
22. Hohenberg P., Kohn W. Inhomogeneous electron gas. Phys Rev 1964, 136:B864.
23. Perdew J.P., Chevary J., Vosko S., Jackson K.A., Pederson M.R., Singh D., et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Phys Rev B 1992, 46:6671.
24. Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B 1990, 41:7892.
25. Monkhorst H.J., Pack J.D. Special points for Brillouin-zone integrations. Phys Rev B 1976, 13:5188-5192.
26. Ru Q., Peng W., Zhang Z., Hu S., Li Y. First-principles calculations and experimental studies of Sn-Zn alloys as negative electrode materials for lithium-ion batteries. Rare Met 2011, 30:160-165.
27. Ceder G., Chiang Y., Sadoway D., Aydinol M., Jang Y., Huang B. Identification of cathode materials for lithium batteries guided by first-principles calculations. Nature 1998, 392:694-696.
28. y nanoparticles synthesized by a room temperature solid-state coordination method. Nanoscale Res Lett 2009, 4:353-358.
29. 4 for Li-ion batteries. J Electrochem Soc 2002, 149:K31-K46.