Publication type: Article in scientific journal
Type of review: Peer review (publication)
Title: NaxAu and CsxAu bimetal clusters : finite size analogs of sodium-gold and caesium-gold compounds
Authors: Heiz, Ueli
Vayloyan, Arthur
Schuhmacher, Ernst
Yeretzian, Chahan
Stener, Mauro
Gisdakis, Philip
Rösch, Notkter
DOI: 10.1063/1.472397
Published in: The Journal of Chemical Physics
Volume(Issue): 105
Issue: 13
Pages: 5574
Pages to: 5585
Issue Date: Jun-1996
Publisher / Ed. Institution: American Institute of Physics
Publisher / Ed. Institution: Melville
ISSN: 0021-9606
Language: English
Subjects: Bimetalic clusters; Alkali clusters; Clusters
Subject (DDC): 540: Chemistry
Abstract: Mixed metal clusters of sodium and cesium with gold have been generated in a supersonic expansion from the mixed vapor phase. Their tendency towards binary cluster formation, relative thermodynamic stability, and ionization potentials have been experimentally and computationally investigated. The properties of the NaxAu clusters may be understood within an electronic shell model based on delocalized cluster orbitals, whereas the characteristics of CsxAu are indicative of substantial ionic interactions. Relativistic density functional calculations have been performed to elucidate the cluster electronic structure and to rationalize observed properties which may not be accounted for by the jellium model. The properties of these finite-size clusters are shown to be related to the known bulk intermetallic compounds sodium gold and cesium-gold (cesium aurid), respectively.
Fulltext version: Published version
License (according to publishing contract): Licence according to publishing contract
Departement: Life Sciences and Facility Management
Appears in Collections:Publikationen Life Sciences und Facility Management

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