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dc.contributor.authorYao, Wenjiao
dc.contributor.authorSougrati, Moulay-Tahar
dc.contributor.authorHoang, Khang
dc.contributor.authorHui, Jianing
dc.contributor.authorLightfoot, Philip
dc.contributor.authorArmstrong, A. Robert
dc.date.accessioned2018-10-03T23:45:33Z
dc.date.available2018-10-03T23:45:33Z
dc.date.issued2017-11-14
dc.identifier251301221
dc.identifier9f847a91-0703-43fb-a15d-76520459793f
dc.identifier85034084170
dc.identifier000415911600021
dc.identifier.citationYao , W , Sougrati , M-T , Hoang , K , Hui , J , Lightfoot , P & Armstrong , A R 2017 , ' A reinvestigation of Na 2 Fe 2 (C 2 O 4 ) 3· 2H 2 O: an iron-based positive electrode for secondary batteries ' , Chemistry of Materials , vol. 29 , no. 21 , pp. 9095-9101 . https://doi.org/10.1021/acs.chemmater.7b02764en
dc.identifier.issn0897-4756
dc.identifier.otherORCID: /0000-0003-1937-0936/work/37446774
dc.identifier.otherORCID: /0000-0001-7048-3982/work/59464463
dc.identifier.urihttps://hdl.handle.net/10023/16140
dc.descriptionW. Y. thanks the Royal Society for the award of a Newton International Fellowship (140881).en
dc.description.abstractWe have reinvestigated the polyanionic compound Na2Fe2(C2O4)3·2H2O, previously reported to be electrochemically inactive in lithium-ion batteries (LIBs), as a positive electrode for sodium-ion batteries (NIBs). The present study demonstrates that it is capable of delivering a reversible capacity close to its theoretical value (117 mAhg–1) with three redox plateaus at 2.9, 3.3 and 3.6 V vs. Na/Na+ in the potential range 1.7–4.2 V. The obtained energy density of 326 WhKg–1 is among the highest of all reported polyanionic cathodes in NIBs. The origin of the electrochemical activity can be traced back to the electronic structure of the compound and the low migration energy barrier of the alkali ion observed in first-principles density-functional theory calculations.
dc.format.extent2554709
dc.language.isoeng
dc.relation.ispartofChemistry of Materialsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subjectSDG 7 - Affordable and Clean Energyen
dc.subject.lccQDen
dc.titleA reinvestigation of Na2Fe2(C2O4)3·2H2O: an iron-based positive electrode for secondary batteriesen
dc.typeJournal articleen
dc.contributor.sponsorThe Royal Societyen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doi10.1021/acs.chemmater.7b02764
dc.description.statusPeer revieweden
dc.date.embargoedUntil2018-10-04
dc.identifier.grantnumberNF140881en


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