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Vanadyl-type defects in Tavorite-like NaVPO4F: from the average long range structure to local environments

hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBOIVIN, Edouard
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
dc.contributor.authorCHOTARD, Jean-Noel
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorBAMINE, Tahya
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorCARLIER, Dany
hal.structure.identifierDepartamento de Química Inorgánica, Facultad de Ciencia y Tecnologia
dc.contributor.authorSERRAS, Paula
hal.structure.identifierDepartamento de Química Inorgánica, Facultad de Ciencia y Tecnologia
dc.contributor.authorPALOMARES, Verónica
hal.structure.identifierDepartamento de Química Inorgánica, Facultad de Ciencia y Tecnologia
hal.structure.identifierCIC ENERGIGUNE - Parque Tecnol Alava
dc.contributor.authorROJO, Teófilo
hal.structure.identifierSynchrotron SOLEIL [SSOLEIL]
dc.contributor.authorIADECOLA, Antonella
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
dc.contributor.authorDUPONT, Loic
hal.structure.identifierInstitut des Sciences Moléculaires [ISM]
dc.contributor.authorBOURGEOIS, Lydie
hal.structure.identifierEuropean Synchrotron Radiation Facility [ESRF]
dc.contributor.authorFAUTH, François
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorMASQUELIER, Christian
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorCROGUENNEC, Laurence
dc.date.issued2017
dc.identifier.issn2050-7488
dc.description.abstractEnTavorite-type compositions offer rich crystal chemistry for positive electrodes in rechargeable batteries, among which LiVIIIPO4F has the highest theoretical energy density (i.e. 655 Wh kg−1). In this article, we report for the first time the synthesis of the related Na-based phase crystallizing in the Tavorite-like structure. Its in-depth structural and electronic characterization was conducted by a combination of several techniques, spanning electron and X-ray powder diffraction as well as infrared and X-ray absorption spectroscopy. The magnetic susceptibility measurement reveals an average oxidation state for vanadium slightly higher than V3+. This slight oxidation is supported by infrared and X-ray absorption spectroscopies which highlight the presence of V4+[double bond, length as m-dash]O vanadyl-type defects leading to an approximated NaVIII0.85(VIVO)0.15(PO4)F0.85 composition. In this material, the profile of the diffraction lines is governed by a strong strain anisotropic broadening arising from the competitive formation between the ionic V3+–F and the covalent V4+[double bond, length as m-dash]O bonds. This material shows a limited extraction of sodium, close to 15% of the theoretical capacity. Indeed, its electrochemical properties are strongly inhibited by the intrinsic low sodium mobility in the Tavorite framework.
dc.description.sponsorshipSpectromètre EXAFS Rapide pour Cinétiques Chimiques
dc.description.sponsorshipDevelopment of New High Voltage Positive Electrodes for Sustainable Li-Ion Batteries
dc.description.sponsorshipLaboratory of excellency for electrochemical energy storage
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enVanadyl-type defects in Tavorite-like NaVPO4F: from the average long range structure to local environments
dc.typeArticle de revue
dc.identifier.doi10.1039/C7TA08733K
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie inorganique
bordeaux.journalJournal of Materials Chemistry A
bordeaux.page25044-25055
bordeaux.volume5
bordeaux.issue47
bordeaux.peerReviewedoui
hal.identifierhal-01664930
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01664930v1
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