title: Electrochemical property: Structure relationships in monoclinic Li(3-y)V2(PO4)3.
abstract: Monoclinic lithium vanadium phosphate, alpha-Li(3)V(2)(PO(4))(3), is a highly promising material proposed as a cathode for lithium-ion batteries. It possesses both good ion mobility and high lithium capacity because of its ability to reversibly extract all three lithium ions from the lattice. Here, using a combination of neutron diffraction and (7)Li MAS NMR studies, we are able to correlate the structural features in the series of single-phase materials Li(3-y)V(2)(PO(4))(3) with the electrochemical voltage-composition profile. A combination of charge ordering on the vanadium sites and lithium ordering/disordering among lattice sites is responsible for the features in the electrochemical curve, including the observed hysteresis. Importantly, this work highlights the importance of ion-ion interactions in determining phase transitions in these materials.
authors.affiliation: Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
authors.forename: S-C
authors.initials: SC
authors.lastname: Yin
authors.forename: H
authors.initials: H
authors.lastname: Grondey
authors.forename: P
authors.initials: P
authors.lastname: Strobel
authors.forename: M
authors.initials: M
authors.lastname: Anne
authors.forename: L F
authors.initials: LF
authors.lastname: Nazar