DataVXChemistry of MaterialsPaper
journal article·2018-08-28

LiVPO4F1–yOy Tavorite-Type Compositions: Influence of the Concentration of Vanadyl-Type Defects on the Structure and Electrochemical Performance

Edouard Boivin, Rénald David, Jean-Noël Chotard, Tahya Bamine, Antonella Iadecola, Lydie Bourgeois, Emmanuelle Suard, François Fauth, Dany Carlier, Christian Masquelier, Laurence Croguennec

Chemistry of Materials· Volume 30· Issue 16
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Source abstract

Abstract

Mixed-valence LiVPO4F1–yOy materials were obtained for the first time over a large composition range (here 0.35 ≤ y ≤ 0.75) through a single-step solid-state synthesis. Interestingly, the competition between the ionic character of the V3+–F bond and the strong covalency of the V4+═O vanadyl bond originates complex crystal chemistry at the local scale, which allows stabilization of a solid solution between LiVPO4F and LiVPO4O despite a significant deviation from Vegard’s law for the cell parameters. A combined study using IR, Raman, and X-ray absorption spectroscopies highlights the effect of the vanadyl environment on the electronic structure of the vanadium orbitals and a fortiori the electrochemical behavior. Our results underline that the electrochemical performance of LiVPO4F1–yOy-type materials can be controlled by tuning the concentration of vanadyl-type defects, i.e., by playing on the competition between the ionic V3+–F bond and the covalent V4+═O bond.
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Research context

OpenAlex topics: Advancements in Battery Materials · Metal Extraction and Bioleaching · Chemical Synthesis and Characterization

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

CNRS, Université Bordeaux, Bordeaux INP, ICMCB UMR 5026, Pessac F-33600, France

Laboratoire de Réactivité et de Chimie des Solides, CNRS UMR 7314, Université de Picardie Jules Verne, Amiens F-80039 Cedex 1, France

RS2E, Réseau Français sur le Stockage Electrochimique de l’Energie, FR CNRS 3459, Amiens F-80039 Cedex 1, France

ALISTORE-ERI European Research Institute, FR CNRS 3104, Amiens F-80039 Cedex 1, France

Université de Bordeaux, ISM, Groupe de Spectroscopie Moléculaire, Talence F-33405, France

Bordeaux INP, ISM, CNRS UMR 5255, Talence F-33405, France

Institut Laue-Langevin, 71 Avenue des Martyrs, Grenoble F-38000, France

CELLS - ALBA Synchrotron, E-08290 Cerdanyola del Vallès, Barcelona, Spain

Funding

Agence Nationale de la Recherche · European Regional Development Fund · Centre National de la Recherche Scientifique · R?gion Nouvelle-Aquitaine

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