CHAZEL, Cédric; MÉNÉTRIER, Michel; CARLIER-LARREGARAY, Dany; CROGUENNEC, Laurence; DELMAS, Claude

doi:10.1021/cm070324n

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CHAZEL, Cédric
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

MÉNÉTRIER, Michel
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

CARLIER-LARREGARAY, Dany
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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Chemistry of Materials. 2007, vol. 19, n° 17, p. 4166-4173

American Chemical Society

Résumé en anglais

LiNi2O4 spinel-type phases were prepared by thermal treatment of electrochemically deintercalated layered Li~0.5NiO2. The phase transformation was followed by 7Li NMR, showing a gradual change of the signal from the layered compound. The characteristic signal of the latter (related to local Li/vacancy and Ni3+/Ni4+ ordering) vanishes after heating to 150 C and is replaced by a new signal showing faster exchange kinetics (originating from Ni3+/Ni4+ hopping around Li), which progressively transforms into a broad distribution of signals. Around 200 C, a set of three positively shifted signals is observed, corresponding to the appearance of the spinel phase as seen from XRD; these signals disappear after heating to 240 C, corresponding to the beginning of decomposition of the spinel into a disordered Rm type phase with oxygen evolution as previously shown by Guilmard et al. (Chem. Mater. 2003, 15, 4476 and 4484)...< Réduire

Mots clés en anglais

DFT

Spinel

Inorganic coumpounds

Layered compounds

Contact shift mechanism

LiNiO4

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DFT modeling of NMR contact shift mechanism in the ideal LiNi2O4 spinel and application to thermally treated layered Li0.5NiO2

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