Ab initio investigation of the Jahn-Teller distortion effect on the stabilizing lithium intercalated compounds

Materials Chemistry and Physics

Volumn 92, Issue 2-3, 2005, Pages 499-504

  Amriou, T ^a   Khelifa, B ^a   Aourag, H ^b   Aouadi, S M ^c   Mathieu, C ^a  

^a UNIVERSITÉ D'ARTOIS   (France)

^b UNIVERSITÉ DE TECHNOLOGIE DE BELFORT MONTBÉLIARD   (France)

^c SOUTHERN ILLINOIS UNIVERSITY   (United States)

Author keywords

Average intercalation voltage; First principles calculation; Jahn Teller distortion; Li ion batteries; Linearized augmented plane wave; Transition metal oxides

Indexed keywords

BAND STRUCTURE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; INTERCALATION COMPOUNDS; LITHIUM BATTERIES; QUANTUM THEORY; TRANSITION METAL COMPOUNDS;

AVERAGE INTERCALATION VOLTAGES; FIRST PRINCIPLES CALCULATIONS; JAHN TELLER DISTORTIONS; LI-ION BATTERIES; LINEARIZED AUGMENTED PLANE WAVES;

LITHIUM COMPOUNDS;

EID: 17444407521     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2005.01.061     Document Type: Article

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