Density functional theory study of the adsorption of alkanethiols on Cu(111), Ag(111), and Au(111) in the low and high coverage regimes

Article Abstract:

The structure, the surface bonding and the energetics of alkanethiols adsorbed on Cu(111), Ag(111) and Au(111) surfaces were studied under low and high coverages. The effects of the tilt of the S-C bond on the binding energy are more pronounced on the Au(111) surfaces than the Ag(111) and Cu(111) surfaces due to the binding energy is more pronounced on the bonding.

Usage, Density functionals, Density functional theory, Copper compounds, Chemical properties

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Adsorption and thermal reactions of alkanethiols on Pt(111): Dependence on the length of the alkyl chain

Article Abstract:

The adsorption and thermal decomposition of alkanethiols on Pt(111) are studied with temperature-programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS) with synchrotron radiation. It is concluded that the density of adsorption of alkanethiol decreases with increasing length of the alkyl chain.

X-ray spectroscopy, Thermal properties

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Orientation of thiophenol adsorbed on silver determined by nonlinear vibrational spectroscopy of the carbon skeleton

Article Abstract:

The orientation of thiophenol adsorbed on silver is determined by comparing ab initio calculated and experimental sum-frequency generation (SFG) spectra measured between 9 and 20 mu m using a tandem KTP/CdSe optical parametric oscillator.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Cadmium, Silver, Selenium Compounds

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