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dc.creatorSomerville, James W.es
dc.creatorSobkowiak, Adames
dc.creatorTapia-Ruiz, Nuriaes
dc.creatorBillaud, Juliettees
dc.creatorLozano Suárez, Juan Gabrieles
dc.creatorHouse, Robert A.es
dc.creatorGallington, Leighanne C.es
dc.creatorEricsson, Torees
dc.creatorHäggström, Lennartes
dc.creatorRoberts, Matthew R.es
dc.creatorMaitra, Urmimalaes
dc.creatorBruce, Peter G.es
dc.date.accessioned2019-09-18T07:41:43Z
dc.date.available2019-09-18T07:41:43Z
dc.date.issued2019-05-17
dc.identifier.citationSomerville, J.W., Sobkowiak, A., Tapia-Ruiz, N., Billaud, J., Lozano Suárez, J.G., House, R.A.,...,Bruce, P.G. (2019). Nature of the Z-phase in layered Na-ion battery cathodes. Energy and Environmental Science, 12 (7), 2223-2232.
dc.identifier.issn1754-5692es
dc.identifier.issn1754-5706es
dc.identifier.urihttps://hdl.handle.net/11441/89185
dc.description.abstractLayered sodium transition metal oxides with the P2 structure, e.g. Na2/3[Ni1/3Mn2/3]O2, are regarded as candidates for Na-ion battery cathodes. On charging, extraction of Na destabilizes the P2 phase (ABBA oxide ion stacking) in which Na+ is in trigonal prismatic coordination, resulting in layer gliding and formation of an O2 phase (ABAC stacking) with octahedral coordination. However, many related compounds do not exhibit such a simple P2 to O2 transition but rather form a so called "Z"-phase. Substituting Ni by Fe in Na2/3[Ni1/3Mn2/3]O2 is attractive as it reduces cost. The Fe containing compounds, such as Na2/3[Ni1/6Mn1/2Fe1/3]O2, form a "Z"-phase when charged above 4.1 V vs. Na+/Na. By combining ex situ and operando X-ray diffraction with scanning transmission electron microscopy and simulated diffraction patterns, we demonstrate that the "Z"-phase is most accurately described as a continuously changing intergrowth structure which evolves from P2 to O2 through the OP4 structure as an intermediate. On charging, Na+ removal results in O-type stacking faults within the P2 structure which increase in proportion. At 50% O-type stacking faults, the ordered OP4 phase forms and on further charging more O-type stacking faults are formed progressing towards a pure O2 structure. This gives the superficial appearance of a solid solution. Furthermore, in contrast to some previous studies, we did not detect Fe migration at any state-of-charge using 57Fe-Mössbauer spectroscopy. It was, however, found that the Fe-substitution serves to disrupt cation ordering in the material.es
dc.description.sponsorshipU.S. Department of Energy FIRG007 FIRG008 EP/R010145/1es
dc.description.sponsorshipArgonne National Laboratory EP/M009521/1 EP/L019469/1es
dc.formatapplication/pdfes
dc.language.isoenges
dc.publisherRoyal Society of Chemistryes
dc.relation.ispartofEnergy and Environmental Science, 12 (7), 2223-2232.
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleNature of the "Z"-phase in layered Na-ion battery cathodeses
dc.typeinfo:eu-repo/semantics/articlees
dcterms.identifierhttps://ror.org/03yxnpp24
dc.type.versioninfo:eu-repo/semantics/publishedVersiones
dc.rights.accessrightsinfo:eu-repo/semantics/openAccesses
dc.contributor.affiliationUniversidad de Sevilla. Departamento de Ingeniería y Ciencia de los Materiales y del Transportees
dc.relation.projectIDFIRG007es
dc.relation.projectIDFIRG008es
dc.relation.projectIDEP/R010145/1es
dc.relation.projectIDEP/M009521/1es
dc.relation.projectIDEP/L019469/1es
dc.relation.publisherversionhttp://doi.org/10.1039/c8ee02991aes
dc.identifier.doi10.1039/c8ee02991aes
idus.format.extent10 p.es
dc.journaltitleEnergy and Environmental Sciencees
dc.publication.volumen12es
dc.publication.issue7es
dc.publication.initialPage2223es
dc.publication.endPage2232es

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