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dc.contributor.authorMiara, Lincoln J.
dc.contributor.authorWang, Yan
dc.contributor.authorKim, Jae Chul
dc.contributor.authorCeder, Gerbrand
dc.contributor.authorRichards, William Davidson
dc.date.accessioned2016-03-25T18:26:39Z
dc.date.available2016-03-25T18:26:39Z
dc.date.issued2015-12
dc.date.submitted2015-12
dc.identifier.issn0897-4756
dc.identifier.issn1520-5002
dc.identifier.urihttp://hdl.handle.net/1721.1/101875
dc.description.abstractDevelopment of high conductivity solid-state electrolytes for lithium ion batteries has proceeded rapidly in recent years, but incorporating these new materials into high-performing batteries has proven difficult. Interfacial resistance is now the limiting factor in many systems, but the exact mechanisms of this resistance have not been fully explained - in part because experimental evaluation of the interface can be very difficult. In this work, we develop a computational methodology to examine the thermodynamics of formation of resistive interfacial phases. The predicted interfacial phase formation is well correlated with experimental interfacial observations and battery performance. We calculate that thiophosphate electrolytes have especially high reactivity with high voltage cathodes and a narrow electrochemical stability window. We also find that a number of known electrolytes are not inherently stable but react in situ with the electrode to form passivating but ionically conducting barrier layers. As a reference for experimentalists, we tabulate the stability and expected decomposition products for a wide range of electrolyte, coating, and electrode materials including a number of high-performing combinations that have not yet been attempted experimentally.en_US
dc.description.sponsorshipSamsung Advanced Institute of Technologyen_US
dc.language.isoen_US
dc.publisherAmerican Chemical Society (ACS)en_US
dc.relation.isversionofhttp://dx.doi.org/10.1021/acs.chemmater.5b04082en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourceACSen_US
dc.titleInterface Stability in Solid-State Batteriesen_US
dc.typeArticleen_US
dc.identifier.citationRichards, William D., Lincoln J. Miara, Yan Wang, Jae Chul Kim, and Gerbrand Ceder. “Interface Stability in Solid-State Batteries.” Chem. Mater. 28, no. 1 (January 12, 2016): 266–273. © 2015 American Chemical Societyen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.contributor.mitauthorRichards, William Davidsonen_US
dc.contributor.mitauthorWang, Yanen_US
dc.contributor.mitauthorKim, Jae Chulen_US
dc.contributor.mitauthorCeder, Gerbranden_US
dc.relation.journalChemistry of Materialsen_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsRichards, William D.; Miara, Lincoln J.; Wang, Yan; Kim, Jae Chul; Ceder, Gerbranden_US
dc.identifier.orcidhttps://orcid.org/0000-0001-9999-6853
dc.identifier.orcidhttps://orcid.org/0000-0002-8126-5048
dc.identifier.orcidhttps://orcid.org/0000-0002-8648-2172
mit.licensePUBLISHER_POLICYen_US


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