Mostrar el registro sencillo del ítem

The structure of tavorite LiFePO(4)(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization.

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMARX, Nicolas
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCROGUENNEC, Laurence
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCARLIER-LARREGARAY, Dany
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorWATTIAUX, Alain
hal.structure.identifierLaboratoire d'Innovation pour les Technologies des Energies Nouvelles et les nanomatériaux [LITEN]
dc.contributor.authorLE CRAS, Frédéric
hal.structure.identifierInstitut Laue-Langevin [ILL]
dc.contributor.authorSUARD, Emmanuelle
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDELMAS, Claude
dc.date.issued2010
dc.identifier.issn1477-9226
dc.description.abstractEnPure tavorite LiFePO(4)(OH) was synthesized through a hydrothermal route. A fine structural analysis was done by X-ray and neutron diffraction techniques. The structure consists of a three-dimensional network with iron(iii) octahedra (FeO(6)) sharing corners, forming chains that run along the b direction. These chains are interconnected by PO(4) tetrahedra, such as the resulting framework encloses tunnels of two different sizes running along the a and c axis. The lithium and hydrogen atoms were precisely localized in these tunnels. Theoretical (GGA + U) calculations performed for LiFePO(4)X materials (X = OH, F) confirmed our results and revealed that a unique lithium position is expected in LiFePO(4)(OH), as experimentally observed. For the first time, lithium intercalation was shown to occur in LiFePO(4)(OH) through the reduction of Fe(3+) to Fe(2+) at an average voltage of approximately 2.3 V (vs. Li(+)/Li) with a good cyclability.
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enThe structure of tavorite LiFePO(4)(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization.
dc.typeArticle de revue
dc.identifier.doi10.1039/b922640k
dc.subject.halChimie/Matériaux
bordeaux.journalDalton Transactions
bordeaux.page5108-5116
bordeaux.volume39
bordeaux.issue21
bordeaux.peerReviewedoui
hal.identifierhal-00486646
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00486646v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Dalton%20Transactions&rft.date=2010&rft.volume=39&rft.issue=21&rft.spage=5108-5116&rft.epage=5108-5116&rft.eissn=1477-9226&rft.issn=1477-9226&rft.au=MARX,%20Nicolas&CROGUENNEC,%20Laurence&CARLIER-LARREGARAY,%20Dany&WATTIAUX,%20Alain&LE%20CRAS,%20Fr%C3%A9d%C3%A9ric&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