Author/Authors :
Sayede، نويسنده , , A.D. and Khelifa، نويسنده , , B. and Pernisek، نويسنده , , M. and Mathieu، نويسنده , , C. and Aourag، نويسنده , , H.، نويسنده ,
Abstract :
The lithium intercalation effects on the V2O5(001) surface have been investigated by means of the LCAO-Hartree–Fock method using various clusters. Considerable charge donated by Li to the host is transferred preferentially to the bridging oxygens rather than to the vanadyl oxygens or metals. A partial reduction of the vanadium center near the lithium is obtained.
Keywords :
Vanadium pentoxide (V2O5) , Lithium intercalation compound , Hartree–Fock , (001) surface
