Ab initio calculation of adsorption to beta-SiC clusters

Article Abstract:

A comparative structural and energetic investigation of the adsorption of a range of species to beta-SiC clusters of various shapes and sizes is presented. It was found that the initial stage of C growth on Si surface sites on SiC clusters are energetically more favourable using H as the terminating species, rather than F.

Adsorption, Surface chemistry

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Surface self-diffusion of organic molecules adsorbed in porous silicon

Article Abstract:

The pulsed field gradient nuclear magnetic resonance method is employed to probe self-diffusion of organic guest molecules adsorbed in porous silicon with a 3.6 nm pore size. The molecular self-diffusion coefficient and intrapore adsorption were simultaneously measured as a function of the external vapor pressure.

Nuclear magnetic resonance

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Influence of adsorbed species on the reconstruction of 4H-SiC(00-1) surfaces

Article Abstract:

Surface reconstructions of unterminated 4-H-SiC (0001) surfaces are investigated theoretically using the principal density functional theory. The result reveals that the adsobates were observed to bond strongly to the surfaces of Si (0001) and C (0001) respectively.

Usage, Carbon, Density functionals, Density functional theory

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