|Title:||NaxAu and CsxAu bimetal clusters : finite size analogs of sodium-gold and caesium-gold compounds|
|Authors :||Heiz, Ueli|
|Published in :||The journal of chemical physics|
|Publisher / Ed. Institution :||AIP|
|Publisher / Ed. Institution:||Melville|
|License (according to publishing contract) :||Licence according to publishing contract|
|Type of review:||Peer review (Publication)|
|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.|
|Departement:||Life Sciences und Facility Management|
|Publication type:||Article in scientific Journal|
|Appears in Collections:||Publikationen Life Sciences und Facility Management|
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