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Effects of Ni Doping on [MnO 6 ] Octahedron in LiMn 2 O 4

✍ Scribed by Wei, Y. J.; Yan, L. Y.; Wang, C. Z.; Xu, X. G.; Wu, F.; Chen, G.

Book ID
121384169
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
138 KB
Volume
108
Category
Article
ISSN
0022-3654

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The effect of cation doping on spinel Li
The effect of cation doping on spinel LiMn2O4: a first-principles investigation
✍ Siqi Shi; Chuying Ouyang; Ding-sheng Wang; Liquan Chen; Xuejie Huang πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 195 KB

The effect of the cation doping on the electronic structure of spinel LiM y Mn 22y O 4 (M ΒΌ Cr, Mn, Fe, Co and Ni) has been calculated by first-principles. Our calculation shows that new M-3d bands emerge in the density of states compared with that in LiMn 2 O 4 . Simultaneously, the new O-2p bands