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.
Reference:
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
Kganyago, K., Ngoepe, P., & Catlow, C. (2003). Ab initio calculation of the voltage profile for LiC6. http://hdl.handle.net/10204/1429
Kganyago, KR, PE Ngoepe, and CRA Catlow "Ab initio calculation of the voltage profile for LiC6." (2003) http://hdl.handle.net/10204/1429
Kganyago K, Ngoepe P, Catlow C. Ab initio calculation of the voltage profile for LiC6. 2003; http://hdl.handle.net/10204/1429.
