Author:Kganyago, KR; Ngoepe, PE; Catlow, CRADate:Mar 2003Energetics 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 ...Read more
Author:Kganyago, KR; Ngoepe, PEDate:Nov 2003The lattice properties and electronic structure of graphite and LiC6 within the most widely used density-functional theory implementation, the local density approximation (LDA) are calculated. Improvements to the LDA in the form of a generalized ...Read more