Mostrar el registro sencillo del ítem

Phase stability and sodium-vacancy orderings in a NaSICON electrode

hal.structure.identifierDepartment of Materials Science and Engineering [Singapore]
dc.contributor.authorWANG, Ziliang
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
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.authorPARK, Sunkyu
hal.structure.identifierDepartment of Materials Science and Engineering [Singapore]
dc.contributor.authorDENG, Zeyu
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.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
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.authorCROGUENNEC, Laurence
hal.structure.identifierDepartment of Materials Engineering
dc.contributor.authorSAI GAUTAM, Gopalakrishnan
hal.structure.identifierDepartment of Materials Science and Engineering [Singapore]
hal.structure.identifierMaterials Department [Santa Barbara]
dc.contributor.authorCHEETHAM, Anthony
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorMASQUELIER, Christian
hal.structure.identifierDepartment of Materials Engineering
hal.structure.identifierDeparment of Chemical and Biomolecular Engineering
dc.contributor.authorCANEPA, Pieremanuele
dc.date.issued2022
dc.identifier.issn2050-7488
dc.description.abstractEnWe elucidate the thermodynamics of sodium (Na) intercalation into the sodium super-ionic conductor (NaSICON)-type electrode, NaxV2(PO4)3, for promising Na-ion batteries with high-power density. This is the first report of a computational temperature-composition phase diagram of the NaSICON-type electrode NaxV2(PO4)3. Based on our computational data, we identify a thermodynamically stable phase with a composition of Na2V2(PO4)3 and describe its structural features. We also identify another metastable configuration that can occur at room temperature, namely Na3.5V2(PO4)3. We unveil the crystal-structure and the electronic-structure origins of the ground-state compositions associated with specific Na/vacancy arrangements, which are driven by charge orderings on the vanadium sites. These results are significant for the optimization of high-energy and power density electrodes for sustainable Na-ion batteries.
dc.description.sponsorshipLaboratory of excellency for electrochemical energy storage - ANR-10-LABX-0076
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enPhase stability and sodium-vacancy orderings in a NaSICON electrode
dc.typeArticle de revue
dc.identifier.doi10.1039/D1TA09249A
dc.subject.halChimie/Matériaux
dc.identifier.arxiv2109.06997
bordeaux.journalJournal of Materials Chemistry A
bordeaux.page209-217
bordeaux.volume10
bordeaux.issue1
bordeaux.peerReviewedoui
hal.identifierhal-03467608
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03467608v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Materials%20Chemistry%20A&rft.date=2022&rft.volume=10&rft.issue=1&rft.spage=209-217&rft.epage=209-217&rft.eissn=2050-7488&rft.issn=2050-7488&rft.au=WANG,%20Ziliang&PARK,%20Sunkyu&DENG,%20Zeyu&CARLIER,%20Dany&CHOTARD,%20Jean-Noel&rft.genre=article


Archivos en el ítem

ArchivosTamañoFormatoVer

No hay archivos asociados a este ítem.

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem