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Please use this identifier to cite or link to this item:
http://hdl.handle.net/10204/1429
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| Title: | Ab initio calculation of the voltage profile for LiC6 |
| Authors: | Kganyago, KR
Ngoepe, PE
Catlow, CRA |
| Keywords: | Ab initio calculations
Density functional theory
Anode intercalations
LiC6
LDA-DFT
Physics
Chemistry
Li battery system |
| Issue Date: | Mar-2003 |
| Publisher: | Elsevier Science BV |
| Citation: | Kganyago, KR, Ngoepe, PE and Catlow, CRA. 2003. Ab initio calculation of the voltage profile for LiC6. Solid State Ionics, vol. 159, 2 January, pp 21-23 |
| Abstract: | Energetics of the anode system LiC6 compared to metallic lithium is calculated within the framework of local-density functional theory (LDA-DFT) techniques. Our results suggest that the energy of anode intercalation results in a small change to the cell voltage. |
| URI: | http://hdl.handle.net/10204/1429
http://hdl.handle.net/10204/1429 |
| ISSN: | 0167-2738 |
| Appears in Collections: | Energy and processes
General science, engineering & technology
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