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Properties of transition metal doped cadmium sulfide hexamers and dodecamers

dc.contributor.authorPoggio, Stefano
dc.contributor.authorKing, Jonathan
dc.contributor.authorBelBruno, Joseph
dc.date.accessioned2017-12-21T12:03:29Z
dc.date.available2017-12-21T12:03:29Z
dc.date.created2016-01-26T15:16:48Z
dc.date.issued2015
dc.identifier.citationChemical Physics Letters. 2015, 640 106-?.nb_NO
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/11250/2473508
dc.description.abstractThe electronic and geometrical properties of endohedrally and substitutionally doped Cd6S6 and Cd12S12 clusters were analyzed by means of Density Functional Theory. The results are compared to those of ZnS clusters of the same size. There is a clear correlation between CdS and ZnS when doped with the same element due to the chemical interaction between the dopant and its host. This is particularly evident from endohedrally doped Cd6S6. The change in properties across the 3d series in doped CdS clusters is not as great as in ZnS clusters.nb_NO
dc.language.isoengnb_NO
dc.publisherElseviernb_NO
dc.titleProperties of transition metal doped cadmium sulfide hexamers and dodecamersnb_NO
dc.typeJournal articlenb_NO
dc.typePeer reviewednb_NO
dc.description.versionpublishedVersionnb_NO
dc.source.pagenumber106-?nb_NO
dc.source.volume640nb_NO
dc.source.journalChemical Physics Lettersnb_NO
dc.identifier.doi10.1016/j.cplett.2015.10.007
dc.identifier.cristin1322953
dc.relation.projectNorges forskningsråd: 219686nb_NO
dc.relation.projectNotur/NorStore: NN9291Knb_NO
dc.description.localcodeThis article will not be available due to copyright restrictions (c) 2015 by Elseviernb_NO
cristin.unitcode194,66,20,0
cristin.unitnameInstitutt for fysikk
cristin.ispublishedtrue
cristin.fulltextoriginal
cristin.fulltextpostprint
cristin.qualitycode1


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