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A first-principles study of the effect of charge doping on the 1D polymerization of C 60

✍ Scribed by Poloni, R; San Miguel, A; Fernandez-Serra, M V


Book ID
121445992
Publisher
Institute of Physics
Year
2012
Tongue
English
Weight
453 KB
Volume
24
Category
Article
ISSN
0953-8984

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The effect of cation doping on spinel Li
✍ 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