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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 - ANR-10-EQPX-0045
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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