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Controlling the Cathodic Potential of KVPO4F through Oxygen Substitution

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.authorWERNERT, Romain
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.authorNGUYEN, Long
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.authorPETIT, Emmanuel
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorSANZ CAMACHO, Paula
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorIADECOLA, Antonella
hal.structure.identifierEuropean Synchrotron Radiation Facility [Grenoble] [ESRF]
hal.structure.identifierIstituto per lo Studio dei Materiali Nanostrutturati = Institute of Nanostructured Materials [Italy] [ISMN]
dc.contributor.authorLONGO, Alessandro
hal.structure.identifierALBA Synchrotron light source [Barcelone]
dc.contributor.authorFAUTH, François
hal.structure.identifierInstitut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorSTIEVANO, Lorenzo
hal.structure.identifierInstitut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorMONCONDUIT, Laure
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.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorCROGUENNEC, Laurence
dc.date.issued2022
dc.identifier.issn0897-4756
dc.description.abstractEnExploring and tailoring new high energy density positive electrode materials is still a challenge for alkali-ion batteries. In this work, we synthesized the mixed anion phases KVPO4F1-yOy (y = 0, 0.25, 0.5, 0.75, 1) and determined their crystallographic and electronic structures by combining synchrotron X-ray diffraction, X-ray absorption spectroscopy at the vanadium K edge, and 31P MAS NMR coupled with density functional theory calculations. These experiments confirmed that the substitution of F- for O2- anions occurs as a solid solution across the whole composition domain. The local environments of vanadium ions are complex and diverse since the cis and trans octahedra undergo different distortions in the presence of a vanadyl bond. The simultaneous existence of ionic VIII-F bonds and covalent (VIV=O)2+ vanadyl type entities is strongly affecting the electrochemical properties and potassium deinsertion/insertion mechanisms upon cycling. Ultimately, KVPO4F0.5O0.5 appears as a promising positive electrode material due to its high capacity (105 mAh·g-1), working potential (4.2 V vs K+/K), and sloping electrochemical curve.
dc.description.sponsorshipVers des batteries innovantes K-ion - ANR-19-CE05-0026
dc.description.sponsorshipLaboratory of excellency for electrochemical energy storage
dc.description.sponsorshipSpectromètre EXAFS Rapide pour Cinétiques Chimiques - ANR-10-EQPX-0045
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enControlling the Cathodic Potential of KVPO4F through Oxygen Substitution
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.chemmater.2c00295
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie inorganique
bordeaux.journalChemistry of Materials
bordeaux.page4523-4535
bordeaux.volume34
bordeaux.issue10
bordeaux.peerReviewedoui
hal.identifierhal-03690171
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03690171v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemistry%20of%20Materials&rft.date=2022&rft.volume=34&rft.issue=10&rft.spage=4523-4535&rft.epage=4523-4535&rft.eissn=0897-4756&rft.issn=0897-4756&rft.au=WERNERT,%20Romain&NGUYEN,%20Long&PETIT,%20Emmanuel&SANZ%20CAMACHO,%20Paula&IADECOLA,%20Antonella&rft.genre=article


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