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dc.contributor.authorKesavan, Jagadesh Kopula
dc.contributor.authord’Acapito, Francesco
dc.contributor.authorScardi, Paolo
dc.contributor.authorStavrinadis, Alexandros
dc.contributor.authorAkgul, Mehmet Zafer
dc.contributor.authorBurgués-Ceballos, Ignasi
dc.contributor.authorKonstantatos, Gerasimos
dc.contributor.authorBoscherini, Federico
dc.date.accessioned2021-08-31T09:26:13Z
dc.date.available2021-08-31T09:26:13Z
dc.date.issued2020-02-12
dc.identifier.citationKesavan, J.K. [et al.]. Cation Disorder and Local Structural Distortions in AgxBi1–xS2 Nanoparticles. "Nanomaterials", 12 Febrer 2020, vol. 10, p. 316.
dc.identifier.urihttp://hdl.handle.net/2117/350495
dc.description.abstractBy combining X-ray absorption fine structure and X-ray diffraction measurements with density functional and molecular dynamics simulations, we study the structure of a set of AgxBi1−xS2 nanoparticles, a materials system of considerable current interest for photovoltaics. An apparent contradiction between the evidence provided by X-ray absorption and diffraction measurements is solved by means of the simulations. We find that disorder in the cation sublattice induces strong local distortions, leading to the appearance of short Ag–S bonds, the overall lattice symmetry remaining close to hexagonal
dc.format.extent13 p.
dc.language.isoeng
dc.publisherMDPI
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshNanoparticles
dc.subject.othernanoparticles
dc.titleCation Disorder and Local Structural Distortions in AgxBi1–xS2 Nanoparticles
dc.typeArticle
dc.subject.lemacNanopartícules
dc.identifier.doi10.3390/nano10020316
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttps://www.mdpi.com/2079-4991/10/2/316
dc.rights.accessOpen Access
dc.description.versionPostprint (published version)
dc.relation.projectid725165
dc.relation.projectid665884
local.citation.publicationNameNanomaterials
local.citation.volume10
local.citation.startingPage316


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Attribution-NonCommercial-NoDerivs 3.0 Spain
Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution-NonCommercial-NoDerivs 3.0 Spain