CO adsorption isotherms on ice by Fourier transform infrared spectroscopy and new insights of the ice surface from quantum ab initio investigations

Article Abstract:

Fourier transform infrared spectroscopic studies were performed to investigate the mean enthalpy of adsorption of the first carbon monoxide (CO) layer in ice samples with varying organizations. The infrared spectra was measured to calculate the mean enthalpy of adsorbed CO, while quantum calculations on the adsorption energy on the ice surface were performed. The mean enthalpy of the first monolayer was estimated at 10 kilojoules mol-1. The dangling hydroxyls in the first monolayer were equivalent, while no trapping defect was detected on the same layer of the ice samples.

Carbon monoxide, Ice, Surface chemistry, Atmospheric temperature

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Fourier transform reflection-absorption IR spectroscopy study of formate adsorption on TiO2(110)

Article Abstract:

Research was conducted to examine the adsorption of the formate species yielded by dissociative adsorption of formic acid on TiO2(110) using combined Fourier transform reflection-absorption IR spectroscopy and X-ray photoelectron spectroscopy. The method was shown to have the advantages of intrinsic resolution for surface vibrational spectroscopy. The interdependence of the two adsorbed formate species offer an explanation for the complex activity seen for several catalytic reactions of formic acid over titania.

X-ray spectroscopy, Titanium dioxide, Formic acid

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Water dissociation on defective sites on the NaCl(100) surface. A quantum ab initio study

Article Abstract:

A study was conducted to analyze the dissociative adsorption of water on defective NaCl(100) surface using the embedded cluster technique at the UHF/MP2 level of approximation. The cluster utilized in the study was characterized by a 2Na+ and 2Cl- ions on tthe ideal (100) surface and fixed at the crystallograhic positions. Experimental results indicated that color centers can generate trapped OH- ions and weakly bonded hydride ions.

Ions, Surfaces (Materials), Salt, Salt (Food), Surfaces (Technology)

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