LiBi3S5-A lithium bismuth sulfide with strong cation disorder

dc.contributor.authorNakhal, Suliman
dc.contributor.authorWiedemann, Dennis
dc.contributor.authorStanje, Bernhard
dc.contributor.authorDolotko, Oleksandr
dc.contributor.authorWilkening, Martin
dc.contributor.authorLerch, Martin
dc.date.accessioned2016-09-13T12:02:42Z
dc.date.available2016-09-13T12:02:42Z
dc.date.issued2016
dc.description.abstractAmong chalcogenide semiconductors for thermoelectric applications, alkali-metal bismuth compounds occur in many complex compositions favorable for high performance. Although LiBi3S5 had been announced in 1977, the potential 1D lithium-ion conductor has hitherto eluded selective synthesis and structure determination. In this study, we present a solid-state route to phase-pure LiBi3S5 powder starting from LiBiS2 and Bi2S3. Neutron diffractograms and lithium NMR spectra reveal its crystal structure to be a cation-disordered variety of the AgBi3S5 type (synthetic pavonite; monoclinic, C2/m). Topological analyses and lithium NMR relaxometry suggest that correlated lithium-ion diffusion with activation energies up to 0.66(2) eV occurs along the channels in b direction including tetrahedral voids. Because of cation disorder, immobile bismuth(III) ions clog these pathways, making LiBi3S5 a moderate to poor ionic conductor. The synthesis route reported is nonetheless promising for new lithium bismuth sulfides with, possibly ordered, structure types of the pavonite homologous series. (C) 2016 Elsevier Inc. All rights reserved.en
dc.description.sponsorshipDFG, FOR 1277, Mobilität von Lithiumionen in Festkörpern (molife)en
dc.identifier.eissn1095-726X
dc.identifier.issn0022-4596
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/5886
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-5479
dc.language.isoen
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherlithium bismuth sulfideen
dc.subject.othercrystal structureen
dc.subject.otherneutron powder diffractionen
dc.subject.othertopological analysisen
dc.subject.otherlithium NMRen
dc.subject.otherlithium diffusion pathwaysen
dc.titleLiBi3S5-A lithium bismuth sulfide with strong cation disorderen
dc.typeArticleen
dc.type.versionacceptedVersionen
dcterms.bibliographicCitation.doi10.1016/j.jssc.2016.03.010
dcterms.bibliographicCitation.journaltitleJournal of solid state chemistryen
dcterms.bibliographicCitation.originalpublishernameElsevieren
dcterms.bibliographicCitation.originalpublisherplaceAmsterdam [u.a.]en
dcterms.bibliographicCitation.pageend67
dcterms.bibliographicCitation.pagestart60
dcterms.bibliographicCitation.volume238
tub.accessrights.dnbfree*
tub.affiliationFak. 2 Mathematik und Naturwissenschaften::Inst. Chemie::FG Anorganische Chemie - Festkörper- und Materialchemiede
tub.affiliation.facultyFak. 2 Mathematik und Naturwissenschaftende
tub.affiliation.groupFG Anorganische Chemie - Festkörper- und Materialchemiede
tub.affiliation.instituteInst. Chemiede
tub.publisher.universityorinstitutionTechnische Universität Berlin

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