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dc.contributor.authorRøe, Ingeborg Treu
dc.contributor.authorSelbach, Sverre Magnus
dc.contributor.authorSchnell, Sondre Kvalvåg
dc.date.accessioned2020-04-07T08:43:46Z
dc.date.available2020-04-07T08:43:46Z
dc.date.created2020-04-06T10:21:37Z
dc.date.issued2020
dc.identifier.citationThe Journal of Physical Chemistry Letters. 2020, 11, 2891-2895en_US
dc.identifier.issn1948-7185
dc.identifier.urihttps://hdl.handle.net/11250/2650609
dc.description.abstractDendrite formation on Li metal anodes hinders commercialization of more energy-dense rechargeable batteries. Here, we use the migration energy barrier (MEB) for surface transport as a descriptor for dendrite nucleation and compare Li to Mg. Density functional theory calculations show that the MEB for the hexagonal close-packed structure is 40 and 270 meV lower than that of the body-centered cubic structure for Li and Mg, respectively. This is suggested as a reason why Mg surfaces are less prone to form dendrites than Li. We show that the close-packed facets exhibit lower MEBs because of smaller changes in atomic coordination during migration and thereby less surface distortion.en_US
dc.language.isoengen_US
dc.publisherACS Publicationsen_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/deed.no*
dc.titleCrystal Structure Influences Migration along Li and Mg Surfacesen_US
dc.typePeer revieweden_US
dc.typeJournal articleen_US
dc.description.versionpublishedVersionen_US
dc.source.pagenumber2891-2895en_US
dc.source.volume11en_US
dc.source.journalThe Journal of Physical Chemistry Lettersen_US
dc.identifier.doi10.1021/acs.jpclett.0c00819
dc.identifier.cristin1805382
dc.relation.projectNotur/NorStore: NN9566ken_US
dc.description.localcodeThis is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.en_US
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.qualitycode1


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