Title of article :
Ab initio calculation of the voltage profile for LiC6
Author/Authors :
Kganyago، نويسنده , , K.R. and Ngoepe، نويسنده , , P.E. and Catlow، نويسنده , , C.R.A.، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2003
Abstract :
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.
Keywords :
Density functional theory , LiC6 , Cell voltage
Journal title :
Solid State Ionics
Journal title :
Solid State Ionics
