Spatial and electron structure of substituted gold clusters

摘要

The structure of intermetallic clusters Au_(12)M (M=Hf, Ta, W, Re, Os) and features of their interaction with electron donors and acceptor atoms, i.e. H and F, were investigated making use computer calculation based of density functional theory. In was found that metal clusters with effective electron number equal to 18 have more symmetrical shape then that with a number of electrons differing from 18. The interaction of gold nanoparticles with silica was modeled by attachment of SiO_4H groups and the connection of the electronic structure with electronic transitions in spaser is discussed.