Solid State Ionics, Vol.159, No.1-2, 21-23, 2003
Ab initio calculation of the voltage profile for LiC6
Energetics of the anode system LiC6 compared to metallic lithium are 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.