CASTETS, Aurore; CARLIER-LARREGARAY, Dany; TRAD, Khiem; DELMAS, Claude; MÉNÉTRIER, Michel

doi:10.1021/jp106871z

Métadonnées

Afficher la notice complète

Licence d’utilisation du document

CASTETS, Aurore
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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

TRAD, Khiem
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

Langue

Article de revue

Ce document a été publié dans

Journal of Physical Chemistry C. 2010, vol. 114, n° 44, p. 19141-19150

American Chemical Society

Résumé en anglais

The monoclinic Li3Fe2(PO4)3 and Li3V2(PO4)3 phosphates are materials for positive electrodes in Li-ion batteries. They also have interesting structures to test and improve the understanding of Li NMR signals in paramagnetic compounds. The position of such signals is governed by the transfer of electron spin density from the transition metal ion to the Li nucleus. These mechanisms are based on delocalization and polarization effects which induce positive and negative Fermi contact shifts, respectively. We have characterized Li3Fe2(PO4)3 by Li NMR. To understand the signals observed, we have analyzed the electron spin density transfer mechanisms (i) by considering the different Li environments, (ii) by using DFT calculations. We compare our analysis to the one very recently reported by Davis et al. These analyses have been extended to Li3V2(PO4)3 studied by NMR by Cahill et al.< Réduire

Métadonnées

Licence d’utilisation du document

Analysis of the <sup>7</sup>Li NMR signals in the monoclinic Li<sub>3</sub>Fe<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> and Li<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> phases

Langue

Ce document a été publié dans

Résumé en anglais

DOI

Origine

Unités de recherche