Ab initio study on the adsorption of hydrated [Na.sup.+] and [Ag.sup.+] cations on a Ag(111) surface

Article Abstract:

The interactions of [Na.sup.+] and [Ag.sup.+] cations with an Ag(111) surface in the presence and absence of water molecules are investigated with cluster models and ab initio methods. The results have shown that [Ag.sup.+] prefers to adsorb on sites where it can bind to several surface atoms, and in the presence of water molecules, it remains adsorbed to the surface, while the water molecules form hydrogen bonds with one another and the counterpoise (CP) correction had an effect on the interaction energies but did not change the relative modes.

Industrial Gas Manufacturing, Industrial gases, Hydrogen, Electric properties, Silver compounds

---

Adsorption of SDS and PEG on calcium fluoride studied by sum frequency generation vibrational spectroscopy

Article Abstract:

The interface specific nonlinear optical method of sum frequency generation (SFG) vibrational spectroscopy is used for examining the adsorption of sodium dodecyl sulfate (SDS) from aqueous solution onto a calcium fluoride substrate in the presence of polyethylene glycol of different molecular weights. Spectra of the adsorbed SDS are different in the presence of polymer from those with polymer absent from solution and no substantial differences in the SDS spectra are observed when polymers of different molecular weights are used.

Spectra, Vibrational spectra, Structure, Fluorspar

---

Ab initio study on adsorption of hydrated Na(super +) and Cu(super +) cations on the Cu(111) surface

Article Abstract:

The interaction of Na(super +) and Cu(super +) cations with a Cu(111) surface in the presence of water molecules were investigated using cluster models and ab initio methods. The interactions between Na(super +) and the copper surface were found to be primarily electrostatic and the energy differences among the adsorption sites were small and the electrostatic nature of the Na(super +)-Cu interaction results in Na(super +).

Copper compounds, Hydrates

Similar abstracts:

• Abstracts: Theoretical study of the CH(sub 2) + O photodissociation of formaldehyde adsorbed on the Ag(111) surface. Methyl chloride adsorption on Si(001)-electronic structure
• Abstracts: Ab initio cluster model study of the chemisorption of CO on low-index platinum surfaces. Selectivity control for the catalytic 1,3-butadiene hydrogenation on Pt(111) and Pd(111) surfaces: Radical versus closed-shell intermediates
• Abstracts: Steered molecular dynamics studies of the potential of mean force of a [Na.sup.+] or [K.sup.+] ion in a cyclic peptide nanotube
• Abstracts: STM observation of a ruthenium dye adsorbed on a TiO(sub 2)(110) surface
• Abstracts: Spectroscopic and AFM studies on the structures of pseudoisocyanine J aggregates at a mica/water interface. Oxygen-atom vacancies imaged by a noncontact atomic force microscope operated in an atmospheric pressure of N2 gas

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.