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Original Layered OP4-(Li,Na) x CoO 2 Phase: Insights on Its Structure, Electronic Structure, and Dynamics from Solid State NMR

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBIECHER, Yohan
hal.structure.identifierDepartment of Chemistry & Chemical Biology
dc.contributor.authorSMILEY, Danielle
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIGNARD, Marie
hal.structure.identifierEuropean Synchrotron Radiation Facility [ESRF]
dc.contributor.authorFAUTH, François
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierInstitut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier [ICGM]
dc.contributor.authorBERTHELOT, Romain
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDELMAS, Claude
hal.structure.identifierDepartment of Chemistry & Chemical Biology
dc.contributor.authorGOWARD, Gillian
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.authorCARLIER, Dany
dc.date.issued2020-04-20
dc.identifier.issn0020-1669
dc.description.abstractEnThe OP4-(Li/Na)xCoO2 phase is an unusual lamellar oxide with a 1:1 alternation between Li and Na interslab spaces. In order to probe the local structure, electronic structure, and dynamics, 7Li and 23Na magic angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy was performed in complementarity to X-ray diffraction and electronic and magnetic properties measurements. 7Li MAS NMR showed that NMR shifts result from two contributions: the Fermi contact and the Knight shifts due to the presence of both localized and delocalized electrons, which is really unusual. 7Li MAS NMR clearly shows several Li environments, indicating that, moreover, Co ions with different local electronic structures are formed, probably due to the arrangement of the Na+ ions in the next cationic layer. 23Na MAS NMR showed that some Na+ ions are located in the Li layer, which was not previously considered in the structural model. The Rietveld refinement of the synchrotron XRD led to the OP4-[Li0.42Na0.05]Na0.32CoO2 formula for the material. In addition, 7Li and 23Na MAS NMR spectroscopies provide information about the cationic mobility in the material: Whereas no exchange is observed for 7Li up to 450 K, the 23Na spectrum already reveals a single average signal at room temperature due to a much larger ionic mobility.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enOriginal Layered OP4-(Li,Na) x CoO 2 Phase: Insights on Its Structure, Electronic Structure, and Dynamics from Solid State NMR
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.inorgchem.9b03417
dc.subject.halChimie/Matériaux
bordeaux.journalInorganic Chemistry
bordeaux.page5339-5349
bordeaux.volume59
bordeaux.issue8
bordeaux.peerReviewedoui
hal.identifierhal-02569531
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-02569531v1
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