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Surface properties of LiCoO2 investigated by XPS analyses and theoretical calculations

hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
dc.contributor.authorDAHÉRON, Laurence
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
dc.contributor.authorMARTINEZ, Hervé
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
dc.contributor.authorDEDRYVÈRE, Rémi
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
dc.contributor.authorBARAILLE, Isabelle
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMÉNÉTRIER, Michel
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDENAGE, Cathy
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDELMAS, Claude
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
dc.contributor.authorGONBEAU, Danielle
dc.date.issued2009-04-09
dc.identifier.issn1932-7447
dc.description.abstractEnXPS analyses (core peaks and valence spectra), under highly controlled conditions, have been carried out on stoichiometric LiCoO 2 and lithium-overstoichiometric Li 1+y Co 1-y O 2-y (y ∼ 0.05) materials, with significant changes observed in the oxygen peaks. Indeed, beside the component attributed to the O 2anions of the crystalline network, a second one with variable intensity has been observed on the high binding energy side. With the support of ab initio biperiodical calculations on LiCoO 2 , we propose that this peculiar oxygen signature is partially associated, for LiCoO 2 , to undercoordinated oxygen atoms coming from (0 0 1) oriented surfaces. These surface oxygen anions are significantly less negative than the ones of the lattice. These results, in conjunction with SEM analyses for the lithium overstoichiometric material (as prepared and thermally treated), show that the presence of defects (oxygen vacancies) has to also be considered in the overstoichiometric case. As in battery material, all reactions (the intercalation but also the parasitic ones) occur through the surface; characterization of its crystallographic nature (as well as its electronic properties) is a key point to a better understanding and optimization of Li ion batteries.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enChemical analysis
dc.subject.enOxides
dc.subject.enStoichiometry
dc.subject.enCobalt
dc.subject.enXPS
dc.subject.enLithium batteries
dc.title.enSurface properties of LiCoO2 investigated by XPS analyses and theoretical calculations
dc.typeArticle de revue
dc.identifier.doi10.1021/jp803266w
dc.subject.halChimie/Chimie théorique et/ou physique
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie analytique
bordeaux.journalJournal of Physical Chemistry C
bordeaux.page5843-5852
bordeaux.volume113
bordeaux.issue14
bordeaux.peerReviewedoui
hal.identifierhal-03225304
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03225304v1
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