Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives

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dc.contributor.authorBhatt, Mahesh Datt
dc.contributor.authorO'Dwyer, Colm
dc.contributor.funderSeventh Framework Programmeen
dc.date.accessioned2018-05-11T09:05:03Z
dc.date.available2018-05-11T09:05:03Z
dc.date.issued2014-11-15
dc.date.updated2018-05-03T08:35:56Z
dc.description.abstractDensity functional theory is used to investigate the reactivity, reduction and effect of electrolyte additives such as fluoroethylene carbonate (FEC), lithium bis(oxalate) borate (LiBOB) and lithium difluoro(oxalato) borate (LiDFOB) in propylene carbonate (PC)-based Li-ion battery electrolytes. The structural, thermodynamical and calculated infra-red vibrational analyses indicate that FEC additives reduce prior to PC, providing stable SEI film formation near the graphite anode. The reduction and reaction mechanisms of LiBOB and LiDFOB influence the SEI film composition at the graphite surface. These additives contribute to stable SEI film formation without degradation of the anode structure by PC co-intercalation.en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationBhatt, M. D. and O’Dwyer, C. (2015) 'Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives', Chemical Physics Letters, 618, pp. 208-213. doi: 10.1016/j.cplett.2014.11.018en
dc.identifier.doi10.1016/j.cplett.2014.11.018
dc.identifier.endpage213en
dc.identifier.issn0009-2614
dc.identifier.journaltitleChemical Physical Lettersen
dc.identifier.startpage208en
dc.identifier.urihttps://hdl.handle.net/10468/6080
dc.identifier.volume618en
dc.language.isoenen
dc.publisherElsevieren
dc.relation.projectinfo:eu-repo/grantAgreement/EC/FP7::SP1::NMP/314508/EU/STable high-capacity lithium-Air Batteries with Long cycle life for Electric cars/STABLEen
dc.relation.urihttp://www.sciencedirect.com/science/article/pii/S0009261414009592#
dc.rights© 2014 Elsevier B.V. All rights reserved. This manuscript version is made available under the CC-BY-NC-ND 4.0 licenseen
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/en
dc.subjectLithium batteriesen
dc.subjectLithium-ion batteriesen
dc.subjectCarbonationen
dc.subjectDensity functional theoryen
dc.subjectElectric batteriesen
dc.subjectElectrodesen
dc.subjectElectrolytesen
dc.subjectGraphiteen
dc.subjectLithiumen
dc.subjectPropyleneen
dc.subjectSeebeck effecten
dc.subjectSolid electrolytesen
dc.subjectAnodesen
dc.titleSolid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additivesen
dc.typeArticle (peer-reviewed)en
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