Lithium transition metals

Lithium-transition metal compounds are formed by reactions of, e.g., Ni CDT ... 

First-principles calculation on lithium transition metal oxides of positive electrodes for lithium-ion batteries have been done by many researchers [17-20]. In general the open-circuit voltage EocvM depends on the difference in the Li chemical potential between anode Li metal and cathode. In this paper, we have investigated the possibility of using the metal oxide powders for anodic electrode as active materials and find out their electrochemical performance through the calculation. The first-principles calculation in this paper for the voltages was carried out as follows ... 

R.J. Clement, A.J. PeU, D.S. Middlemiss, F.C. Strobridge, J.K. Miller, M.S. Whittingham, L. Emsley, C.P. Grey, G. Pintacuda, Spin-transfer pathways in paramagnetic lithium transition-metal phosphates from combined broadband isotropic solid-state MAS NMR spectroscopy and DFT calculations, J. Am. Chem. Soc. 134 (2012) 17178-17185. 

Yang J, Xu JJ (2006) Synthesis and characterization of carbon-coated lithium transition metal phosphates LiMP04 (M=Fe, Mn, Co, Ni) prepared via a nonaqueous sol-gel route. 

Kang K, Ceder G (2006) Factors that affect Li mobility in layered lithium transition metal oxides. Phys Rev B 74 094105 1-7... 

More recently than LiFeP04 and related phosphate compounds, the search for new cathode materials has been extended to lithium transition metal silicates. Again, these solids are characterized by a poor electric conductivity that made them being considered useless for this purpose. Probably as a consequence of the successful practical application of lithium iron... 

To improve the safety of secondary lithium batteries, the metallic lithium is replaced by another intercalation compound such as graphite. In addition, the cathode would contain ionic lithium in its structure, which is intercalated in the anode or the cathode depending on the direction of the current. Lithium-ion cells are the most advanced batteries now in the market. These cells supply up to 4 volts, have an energy density close to 120 Wh/kg, and have a long life at room temperature. The technology is based on the use of appropriate lithium intercalation compounds as electrodes. Normally a lithium transition metal oxide is used as the cathode and carbonaceous materials serve as the anode. 

Nalsiyama, M., Kaneko, M., and Wakihara, M. (2012) First-principles study of lithium ion migration in lithium transition metal oxides with spinel structure. Phys. Chem. Chem. Phys.,... 

Lee S, Park SS (2012) Structure, defect chemistry, and lithium transport pathway of lithium transition metal pyrophosphates (Li2MP207, M Mn, Fe, and Co) atomistic simulation study. Chem Mater 24 3550-3557... 

He P, Yu H, li D, Zhou H (2012) Layered lithium transition metal oxide cathodes towards high energy lithium-ion batteries. J Mater Chem 22 3680-3695. doi 10.1039/c2jml4305d... 

Godshall NA, Raistrick ID, Huggins RA (1980) Thermodynamic investigations of ternary lithium-transition metal-oxygen cathode materials. Mater Res Bull 15(5) 561-570. doi http // dx.doi.org/10.1016/0025-5408(80)90135-X... 

In the lithium ion battery, the spontaneous flow of lithium ions from the graphite anode to the lithium transition metal oxide cathode causes a corresponding flow of electrons in the external circuit. 

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