Приказ основних података о документу

dc.creatorPopov, Igor
dc.creatorGemming, Sibylle
dc.creatorSeifert, Gotthard
dc.date.accessioned2022-04-05T14:11:44Z
dc.date.available2022-04-05T14:11:44Z
dc.date.issued2007
dc.identifier.issn2469-9950
dc.identifier.urihttp://rimsi.imsi.bg.ac.rs/handle/123456789/201
dc.description.abstractThe stability and the change of the structural and electronic properties of the molybdenum sulfide cluster Mo6S8 upon adsorption on the Au(111) surface are investigated by density functional band-structure calculations with pseudopotentials and a plane-wave basis set. The nearly cubic cluster preferably adsorbs via a face and maintains its structural integrity. It experiences a strong, mostly nonionic attraction to the surface at several quasi-isoenergetic adsorption positions. The analysis of the electronic structure reveals a negligible electron transfer and S-Au hybridized states, which indicate that the cluster-surface interaction is dominated by S-Au bonds, with minor contributions from the Mo atom in the surface vicinity. All results indicate that Mo6S8 clusters on the Au(111) surface are still redox active and can be employed as surface-active agent in the integration of noble metal and ionic or biological components within nanodevices.en
dc.publisherAmer Physical Soc, College Pk
dc.rightsrestrictedAccess
dc.sourcePhysical Review B
dc.subjectatomic clusters / nanoparticles deposition /density functional theory / structural properties /electronic properties
dc.titleStructural and electronic properties of Mo6S8 clusters deposited on a Au(111) surface investigated with density functional theoryen
dc.typearticle
dc.rights.licenseARR
dc.citation.issue24
dc.citation.other75(24): -
dc.citation.volume75
dc.identifier.doi10.1103/PhysRevB.75.245436
dc.identifier.scopus2-s2.0-34347373882
dc.identifier.wos000247625000135
dc.type.versionpublishedVersion


Документи

Thumbnail

Овај документ се појављује у следећим колекцијама

Приказ основних података о документу