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The NaxMoO2 phase diagram (1/2 ≤ x < 1): an electrochemical devil’s staircase

hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorVITOUX, Laura
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGUIGNARD, Marie
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorSUCHOMEL, Matthew
hal.structure.identifierUNSW School of Chemistry [Sydney]
dc.contributor.authorPRAMUDITA, James C.
hal.structure.identifierUNSW School of Chemistry [Sydney]
dc.contributor.authorSHARMA, Neeraj
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDELMAS, Claude
dc.date.issued2017
dc.identifier.issn0897-4756
dc.description.abstractEnLayered sodium transition metal oxides represent a complex class of materials that exhibit a variety of properties, for example, superconductivity, and can feature in a range of applications, for example, batteries. Understanding the structure–function relationship is key to developing better materials. In this context, the phase diagram of the NaxMoO2 system has been studied using electrochemistry combined with in situ synchrotron X-ray diffraction experiments. The many steps observed in the electrochemical curve of Na2/3MoO2 during cycling in a sodium battery suggest numerous reversible structural transitions during sodium (de)intercalation between Na0.5MoO2 and Na∼1MoO2. In situ X-ray diffraction confirmed the complexity of the phase diagram within this domain, 13 single phase domains with minute changes in sodium contents. Almost all display superstructure or modulation peaks in their X-ray diffraction patterns suggesting the existence of many NaxMoO2 specific phases that are believed to be characterized by sodium/vacancy ordering as well as Mo–Mo bonds and subsequent Mo–O distances patterning in the structures. Moreover, a room temperature triclinic distortion was evidenced in the composition range 0.58 ≤ x < 0.75, for the first time in a sodium layered oxide system. Monoclinic and triclinic subcell parameters were refined for every NaxMoO2 phase identified. Reversible [MoO2] slab glidings occur during the sodium (de)intercalation. This level of structural detail provides unprecedented insight on the phases present and their evolution, which may allow each phase to be isolated and examined in more detail.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enThe NaxMoO2 phase diagram (1/2 ≤ x < 1): an electrochemical devil’s staircase
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.chemmater.7b01834
dc.subject.halChimie/Matériaux
bordeaux.journalChemistry of Materials
bordeaux.page7243–7254
bordeaux.volume29
bordeaux.issue17
bordeaux.peerReviewedoui
hal.identifierhal-01623416
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01623416v1
bordeaux.COinSctx_ver=Z39.88-2004&amp;rft_val_fmt=info:ofi/fmt:kev:mtx:journal&amp;rft.jtitle=Chemistry%20of%20Materials&amp;rft.date=2017&amp;rft.volume=29&amp;rft.issue=17&amp;rft.spage=7243%E2%80%937254&amp;rft.epage=7243%E2%80%937254&amp;rft.eissn=0897-4756&amp;rft.issn=0897-4756&amp;rft.au=VITOUX,%20Laura&amp;GUIGNARD,%20Marie&amp;SUCHOMEL,%20Matthew&amp;PRAMUDITA,%20James%20C.&amp;SHARMA,%20Neeraj&amp;rft.genre=article


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