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Self-assembly of Mo6S (8) clusters on the Au(111) surface
dc.creator | Popov, Igor | |
dc.creator | Kunze, T. | |
dc.creator | Gemming, Sibylle | |
dc.creator | Seifert, Gotthard | |
dc.date.accessioned | 2022-04-05T14:13:30Z | |
dc.date.available | 2022-04-05T14:13:30Z | |
dc.date.issued | 2007 | |
dc.identifier.issn | 1434-6060 | |
dc.identifier.uri | http://rimsi.imsi.bg.ac.rs/handle/123456789/227 | |
dc.description.abstract | The preferred adsorption sites and the propensity for a self-organised growth of the molybdenum sulfide cluster Mo6S8 on the Au(111) surface are investigated by density-functional band-structure calculations with pseudopotentials and a plane wave basis set. The quasi-cubic cluster preferentially adsorbs via a face and remains structurally intact. It experiences a strong, mostly non-ionic attraction to the surface at several quasi-isoenergetic adsorption positions. A scan of the potential energy surface exhibits only small barriers between adjacent strong adsorption sites. Hence, the cluster may move in a potential well with degenerate local energy minima at room temperature. The analysis of the electronic structure reveals a negligible electron transfer and S-Au hybridised 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 can undergo a template-mediated self-assembly to an ordered inorganic monolayer, which is still redox active and may be employed as surface-active agent in the integration of noble metal and ionic or biological components within nano-devices. Therefore, a classical potential model was developed on the basis of the DFT data, which allows to study larger cluster assemblies on the Au(111). | en |
dc.publisher | Springer, New York | |
dc.rights | restrictedAccess | |
dc.source | European Physical Journal D | |
dc.subject | atomic clusters / nanoparticles deposition / structural properties / empirical method / density functional theory | |
dc.title | Self-assembly of Mo6S (8) clusters on the Au(111) surface | en |
dc.type | article | |
dc.rights.license | ARR | |
dc.citation.epage | 446 | |
dc.citation.issue | 3 | |
dc.citation.other | 45(3): 439-446 | |
dc.citation.rank | M22 | |
dc.citation.spage | 439 | |
dc.citation.volume | 45 | |
dc.identifier.doi | 10.1140/epjd/e2007-00170-1 | |
dc.identifier.wos | 000251322000007 | |
dc.type.version | publishedVersion |