Ligand Protected Gold Alloy Clusters as Superatoms

  • Michael Walter


Density functional study of the experimentally observed ligand-protected gold alloy clusters reveal the same stabilization mechanism as in ligand protected pure AuN: the delocalized s-electron subsystem of a high symmetry metal core exhibits a shell closing. On the basis of this observation it is predicted that the substitution of a single Au atom in the well-known Au25(SR)18 compound with Pd, Ag, and Cd will produce stable clusters resulting in a method to tune redox properties in such a nanoscale building block. Similar shell closings are shown to stabilize the cores of experimentally known carbonyl protected nickel-gold and nickel-silver clusters. These species can be understood as structurally as well as electronically separated, weakly interacting gold/silver and nickel-carbonyl subsystems.


High Occupied Molecular Orbital Fermi Energy Lower Unoccupied Molecular Orbital Gold Cluster Delocalized Electron 
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© Springer-Verlag Berlin Heidelberg 2011

Authors and Affiliations

  1. 1.Freiburger MaterialforschungszentrumAlbert-Ludwigs-Universität FreiburgFreiburg i.Br.Germany

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