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Ligand-protected gold alloy clusters: Doping the superatom

: Walter, M.; Moseler, M.


Journal of physical chemistry. C, Nanomaterials and interfaces 113 (2009), Nr.36, S.15834-15837
ISSN: 1932-7447
ISSN: 1932-7455
Fraunhofer IWM ()
ligand protected; gold alloy; superatom

A density functional study of the experimentally observed ligand-protected gold alloy clusters PdAu12(PR3)(8)Cl-4 and PtAu6Ag6(AgI3)(2)(PR3)(6) reveal the same stabilization mechanism as in ligand protected pure Au-N: 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 Au-25(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.