A DFT study of lithium battery materials: Application to the β-VOXO4 systems (X=P, As, S)

Journal of Solid State Chemistry

Volumn 176, Issue 2, 2003, Pages 556-566

  Launay, Maxence ^a   Boucher, Florent ^a   Gressier, Pascal ^a   Ouvrard, Guy ^a  

^a INSTITUT DES MATÉRIAUX JEAN ROUXEL   (France)

Author keywords

Inductive effect; Lithium battery; Potential calculations; Structure optimizations; VOXO4

Indexed keywords

CRYSTALLOGRAPHY; ELECTROCHEMISTRY; ELECTRODES; ELECTRONIC DENSITY OF STATES; PROBABILITY DENSITY FUNCTION;

ELECTROCHEMICAL POTENTIAL;

LITHIUM BATTERIES;

ARSENIC; LITHIUM; PHOSPHORUS; SULFUR;

ARTICLE; CALCULATION; CHEMICAL MODEL; CRYSTALLOGRAPHY; ELECTRIC BATTERY; ELECTRIC POTENTIAL; ELECTROCHEMISTRY; EVIDENCE BASED MEDICINE; EXPERIMENT;

EID: 0345304365     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-4596(03)00331-1     Document Type: Article

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