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Morphology and surface reactivity relationship in the Li1+xMn2–xO4 spinel with x = 0.05 and 0.10: a combined first-principle and experimental study

hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorQUESNE-TURIN, Ambroise
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorVALLVERDU, Germain
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorFLAHAUT, Delphine
dc.contributor.authorALLOUCHE, Joachim
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.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorMÉNÉTRIER, Michel
hal.structure.identifierInstitut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux [IPREM]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorBARAILLE, Isabelle
dc.date.issued2017-12-13
dc.identifier.issn1944-8244
dc.description.abstractEnThis article focuses on the surface reactivity of two spinel samples with different stoichiometries and crystal morphologies, namely Li1+xMn2–xO4 with x = 0.05 and 0.10. LiMn2O4 compounds are good candidates as positive electrode of high-power lithium-ion batteries for portable devices. The samples were investigated using both experimental and theoretical approaches. On the experimental point of view, they were characterized in depth from X-ray diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy (XPS) analyses. Then, the reactivity was investigated through the adsorption of (SO2) gaseous probes, in controlled conditions, followed by XPS characterization. First-principle calculations were conducted simultaneously to investigate the electronic properties and the reactivity of relevant surfaces of an ideal LiMn2O4 material. The results allow us to conclude that the reactivity of the samples is dominated by an acido-basic reactivity and the formation of sulfite species. Nonetheless, on the x = 0.05 sample, both sulfite and sulfate species are obtained, the later, in lesser extent, corresponding to a redox reactivity. Combining experimental and theoretical results, this redox reactivity could be associated with the presence of a larger quantity of Mn4+ cations on the last surface layers of the material linked to a specific surface orientation.
dc.description.sponsorshipLaboratory of excellency for electrochemical energy storage - ANR-10-LABX-0076
dc.language.isoen
dc.publisherWashington, D.C. : American Chemical Society
dc.subject.enstoichiometry
dc.subject.enXPS
dc.subject.ensurface reactivity
dc.subject.enspinel positive electrode materials
dc.subject.enstoichiometry
dc.subject.enSurface reactivity
dc.subject.enfirst-principle calculations
dc.title.enMorphology and surface reactivity relationship in the Li1+xMn2–xO4 spinel with x = 0.05 and 0.10: a combined first-principle and experimental study
dc.typeArticle de revue
dc.identifier.doi10.1021/acsami.7b15249
dc.subject.halChimie/Matériaux
bordeaux.journalACS Applied Materials & Interfaces
bordeaux.page44922-44930
bordeaux.volume9
bordeaux.issue51
bordeaux.peerReviewedoui
hal.identifierhal-01680977
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01680977v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=ACS%20Applied%20Materials%20&%20Interfaces&rft.date=2017-12-13&rft.volume=9&rft.issue=51&rft.spage=44922-44930&rft.epage=44922-44930&rft.eissn=1944-8244&rft.issn=1944-8244&rft.au=QUESNE-TURIN,%20Ambroise&VALLVERDU,%20Germain&FLAHAUT,%20Delphine&ALLOUCHE,%20Joachim&CROGUENNEC,%20Laurence&rft.genre=article


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