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dc.contributor.authorSchlem, Roman
dc.contributor.authorMuy, Sokseiha
dc.contributor.authorPrinz, Nils
dc.contributor.authorBanik, Ananya
dc.contributor.authorShao-Horn, Yang
dc.contributor.authorZobel, Mirijam
dc.contributor.authorZeier, Wolfgang G.
dc.date.accessioned2020-12-08T22:28:12Z
dc.date.available2020-12-08T22:28:12Z
dc.date.issued2020-02
dc.date.submitted2019-12
dc.identifier.issn1614-6832
dc.identifier.issn1614-6840
dc.identifier.urihttps://hdl.handle.net/1721.1/128746
dc.description.abstractThe lithium-conducting, rare-earth halides, Li₃MX₆ (M = Y, Er; X = Cl, Br), have garnered significantly rising interest recently, as they have been reported to have oxidative stability and high ionic conductivities. However, while a multitude of materials exhibit a superionic conductivity close to 1 mS cm⁻¹, the exact design strategies to further improve the ionic transport properties have not been established yet. Here, the influence of the employed synthesis method of mechanochemical milling, compared to subsequent crystallization routines as well as classic solid-state syntheses on the structure and resulting transport behavior of Li₃ErCl₆ and Li₃YCl₆ are explored. Using a combination of X-ray diffraction, pair distribution function analysis, density functional theory, and impedance spectroscopy, insights into the average and local structural features that influence the underlying transport are provided. The existence of a cation defect within the structure in which Er/Y are disordered to a new position strongly benefits the transport properties. A synthetically tuned, increasing degree of this disordering leads to a decreasing activation energy and increasing ionic conductivity. This work sheds light on the possible synthesis strategies and helps to systematically understand and further improve the properties of this class of materials.en_US
dc.language.isoen
dc.publisherWileyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1002/aenm.201903719en_US
dc.rightsCreative Commons Attribution 4.0 International licenseen_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.sourceWileyen_US
dc.titleMechanochemical Synthesis: A Tool to Tune Cation Site Disorder and Ionic Transport Properties of Li3MCl6(M = Y, Er) Superionic Conductorsen_US
dc.typeArticleen_US
dc.identifier.citationSchlem, Roman et al. "Mechanochemical Synthesis: A Tool to Tune Cation Site Disorder and Ionic Transport Properties of Li3MCl6(M = Y, Er) Superionic Conductors." Advanced Energy Materials 10, 6 (February 2020): 1903719 © 2019 The Authorsen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.contributor.departmentMassachusetts Institute of Technology. Research Laboratory of Electronicsen_US
dc.relation.journalAdvanced Energy 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
dc.date.updated2020-08-07T13:34:05Z
dspace.date.submission2020-08-07T13:34:09Z
mit.journal.volume10en_US
mit.journal.issue6en_US
mit.licensePUBLISHER_CC
mit.metadata.statusComplete


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