DFT modeling of NMR contact shift mechanism in the ideal LiNi 2O4 spinel and application to thermally treated layered Li0.5NiO2

Chemistry of Materials

Volumn 19, Issue 17, 2007, Pages 4166-4173

  Chazel, Cédric ^a   Ménétrier, Michel ^a   Carlier, Dany ^a   Croguennec, Laurence ^a   Delmas, Claude ^a  

^a CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; DENSITY FUNCTIONAL THEORY; HEAT TREATMENT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITIONS; X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY;

ELECTROCHEMICAL DEINTERCALATON; OCTAHEDRAL COORDINATION; STRUCTURAL DEFECTS; TETRAHEDRAL SITES;

LITHIUM COMPOUNDS;

EID: 34548320847     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm070324n     Document Type: Article

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