Theoretical study of interaction between atoms of Au, Ag, Cu and clean Si(111) surface

To evaluate the interactions between the atoms of An, Ag and Cu and clean Si(111) surface, two types of silicon clusters Si4H7 and Si16H20 together with their metal complexes were studied by using hybrid (U)B3LYP density functional theory method. Optimized geometries and energies on different adsorption sites indicate that: (1) the binding energies at different adsorption sites are large (ranging from similar to 1.2 to 2.6 eV depend on the metal atoms and adsorption sites), suggesting a strong interaction between metal atom and silicon surface; (2) the most favorable adsorption site is the on top (T) site. Mulliken population analysis indicated that in the system of on top (T) site, a covalent bond is formed between metal atom and dangling bond of surface Si atom. (c) 2006 Elsevier B.V. All rights reserved.

Isotope Geochemistry of Gold Ore Deposits in the Gezhen Shear Zone, Qiongxi, Hainan Island

Gold deposits hosted in the Gezhen shear zone at Qingxi, Hainan Island occur in the Precambrian metamorphic rock series and are regionally developed in the N-E direction along the tectonic zone. From northeast to southwest are distributed the Tuwaishan-Baoban gold mining district, the Erjia gold mining district and the Bumo gold mining district, making up the most industrially important gold metallogenesis zone on the Hainan Island. Isotope geochemical studies of the typical gold deposits in this metallogen