Study of surface segregation of antimony on SnO2 surfaces by computer simulation

Article Abstract:

A detailed computational study of the occurrence of Sb segregation, using Sb(III) and Sb(V) ions on the (110) and (001) surfaces of SnO2, is reported and discussed.

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A computer modeling study of the adhesion of apatite thin films on silicate surfaces

Article Abstract:

The adhesion energies for the interface as a function of rotation of the apatite layer with respect to the underlying quartz substrate is calculated. The way strength of adhesion between thin films of apatite material and ceramic silica surfaces is crucially dependent upon both the orientation of the films relative to substrate and the nature of the silica surface.

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Sb(III) as a surface site for water adsorption on Sn(Sb)O2 and its effect on catalytic activity and sensor behavior

Article Abstract:

A study was conducted to show that antimony segregation to the surface as Sb(III) in Sn(sub 1-x)Sb(sub x)O2 changes the effect of water vapor on the surface-catalyzed combustion rate of carbon monoxide and the elevated-temperature electrical conductivity. Coprecipitation was carried out to prepare the oxides. A computer-controlled rig was then utilized to determine the electric behavior of pellets under controlled humidity and temperature conditions.

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