Oxidation of the titanium(0001) surface: diffusion processes of oxygen from DFT

The double-layer model of oxygen adsorption is proposed for the initial oxidation of the Ti(0001) surface based on diffusion barrier analysis.

On the Role of Surface Diffusion and Its Relation to the Hydrogen Incorporation During Hydrogenated Amorphous Silicon Growth

The incorporation of hydrogen in vacancies and at void surfaces during hydrogenated amorphous silicon growth from a remote expanding thermal plasma (ETP) is systematically studied by variation of the mass growth flux Γa-Si:H and substrate temperatureTsub. An evident relation between the void incorporation and the growth parameters Γa-Si:H andTsubhas been observed. We speculate on a possible relation with the surface diffusion processes during deposition. An activation energy for surface diffusion during a-Si:H growth of 0.8-1.1 eV is obtained using this assertion, similar to the activation energy deduced from surface roughness evolution studies. For compact films hydrogen is predominantly present at vacancies, and a possible relation with the hydrogen removal mechanism during deposition is discussed.