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Structural origins of voltage mysteresis in the Na-Ion cathode P2-Na0.67[Mg0.28Mn0.72]O2 : A combined spectroscopic and density functional theory study

dc.contributor.authorBassey, Euan N.
dc.contributor.authorReeves, Philip J.
dc.contributor.authorJones, Michael A.
dc.contributor.authorLee, Jeongjae
dc.contributor.authorSeymour, Ieuan D.
dc.contributor.authorCibin, Giannantonio
dc.contributor.authorGrey, Clare P.
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.date.accessioned2023-07-05T16:02:00Z
dc.date.available2023-07-05T16:02:00Z
dc.date.issued2021-07-13
dc.descriptionFunding Information: E.N.B. acknowledges funding from the Engineering Physical Sciences Research Council (EPSRC) via the National Productivity Interest Fund (NPIF) 2018 and is also grateful for use of the ARCHER UK National Supercomputing Service via our membership in the UK’s HEC Materials Chemistry Consortium, funded by the EPSRC (EP/L000202). Research was also carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, through the U.S. Department of Energy, Office of Basic Energy Sciences, Contract DE-AC02-98CH10866. P.J.R. thanks the Northeast Centre for Chemical Energy Storage (NECCES), an Energy Frontier Research Centre funded by the US Department of Energy, Office of Basic Energy Sciences, award DE-SC0012583. M.A.J. is grateful for the financial support of the EPSRC Centre for Doctoral Training (CDT) in Nanoscience and Nanotechnology Award EP/L015978/1. J.L. was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MEST) (no. 2019R1A6A1A10073437). E.N.B. also wishes to thank Dr M.F. Groh for assistance with setting up capillary XRD measurements. Publisher Copyright: ©en
dc.description.statusPeer revieweden
dc.format.extent17
dc.format.extent2695033
dc.identifier242423107
dc.identifierf6362c58-00c8-4f93-92b7-1ebe805ac408
dc.identifier85110309317
dc.identifier.citationBassey, E N, Reeves, P J, Jones, M A, Lee, J, Seymour, I D, Cibin, G & Grey, C P 2021, 'Structural origins of voltage mysteresis in the Na-Ion cathode P2-Na 0.67 [Mg 0.28 Mn 0.72 ]O 2 : A combined spectroscopic and density functional theory study', Chemistry of Materials, vol. 33, no. 13, pp. 4890-4906. https://doi.org/10.1021/acs.chemmater.1c00248en
dc.identifier.doi10.1021/acs.chemmater.1c00248
dc.identifier.issn0897-4756
dc.identifier.otherORCID: /0000-0002-9550-9971/work/168097937
dc.identifier.urihttps://hdl.handle.net/2164/21121
dc.identifier.urlhttps://www.scopus.com/pages/publications/85110309317en
dc.language.isoeng
dc.relation.ispartofChemistry of Materialsen
dc.subjectQD Chemistryen
dc.subjectGeneral Chemistryen
dc.subjectGeneral Chemical Engineeringen
dc.subjectMaterials Chemistryen
dc.subjectSupplementary Informationen
dc.subject.lccQDen
dc.titleStructural origins of voltage mysteresis in the Na-Ion cathode P2-Na0.67[Mg0.28Mn0.72]O2 : A combined spectroscopic and density functional theory studyen
dc.typeJournal articleen

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