| Autor: |
Sun, Zhen Hui, Liu, Wei Hua, Wan, Qi Xin, Li, Dong Mei, Xiong, Zhi Hua |
| Zdroj: |
Advanced Materials Research; December 2011, Vol. 415 Issue: 1 p1643-1646, 4p |
| Abstrakt: |
Based on the first-principle calculations, we present a study of the effect of Ca doping on the electronic properties of LiCoO2. Studies of band structure and densities of states show that hole states, which enhance the conductivity of semiconductor appear in the valence bands of Ca-doped material due to the increase of Co4+ concentration. It is further found that the Ca doping concentration should be controlled within 10 mol% of LiCoO2 to keep the crystalline structure unchanged. We expect this study might be helpful for synthesizing good conductivity LiCoO2 by controlling Ca doping. |
| Databáze: |
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