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A combined first principles and experimental study on Na3V2(PO4)(2)F-3 for rechargeable Na batteries

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dc.contributor.authorShakoor, R. A.-
dc.contributor.authorSeo, Dong-Hwa-
dc.contributor.authorKim, Hyungsub-
dc.contributor.authorPark, Young-Uk-
dc.contributor.authorKim, Jongsoon-
dc.contributor.authorKim, Sung-Wook-
dc.contributor.authorGwon, Hyeokjo-
dc.contributor.authorLee, Seongsu-
dc.contributor.authorKang, Kisuk-
dc.date.accessioned2020-04-25T08:16:46Z-
dc.date.available2020-04-25T08:16:46Z-
dc.date.issued2012-08-
dc.identifier.citationJournal of Materials Chemistry, Vol.22 No.38, pp.20535-20541-
dc.identifier.issn0959-9428-
dc.identifier.other92861-
dc.identifier.urihttp://hdl.handle.net/10371/165138-
dc.description.abstractThe electrochemical properties of Na3V2(PO4)(2)F-3 in a Na rechargeable battery were investigated through a combined computational and experimental study. Ex situ XRD results indicate that the reversible sodiation/desodiation occurs via one phase reaction and the structure of Na3-xV2(PO4)(2)F-3 remains quite stable upon extraction and insertion of sodium. Notable is that the one phase reaction is accompanied by the negligible variation in lattice parameters (similar to 1%) and unit cell volume (similar to 2%) which results in a good cycle performance. It is further noticed that the desodiated phase is thermally stable up to 550 degrees C implying the excellent safety characteristic of the charged electrode. The first principles calculations elucidate the mechanisms of the structural evolution and the electrochemical behavior of Na3-xV2(PO4)(2)F-3 upon battery cycling.-
dc.titleA combined first principles and experimental study on Na3V2(PO4)(2)F-3 for rechargeable Na batteries-
dc.typeArticle-
dc.contributor.AlternativeAuthor강기석-
dc.identifier.doi10.1039/c2jm33862a-
dc.citation.journaltitleJournal of Materials Chemistry-
dc.identifier.scopusid2-s2.0-84870435953-
dc.citation.endpage20541-
dc.citation.number38-
dc.citation.startpage20535-
dc.citation.volume22-
dc.identifier.urlhttps://pubs.rsc.org/en/content/articlelanding/2012/JM/c2jm33862a#!divAbstract-
dc.identifier.rimsid92861-
dc.identifier.sci000308658600062-
dc.description.isOpenAccessN-
dc.contributor.affiliatedAuthorKang, Kisuk-
Appears in Collections:
College of Engineering/Engineering Practice School (공과대학/대학원)Dept. of Material Science and Engineering (재료공학부) Journal Papers (저널논문_재료공학부)
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