Study of the Diffusion Properties of Oxygen in TiO2
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DOI: 10.1134/s1063776121070025
Abstract: The formation energies of oxygen vacancies and the migration barriers of oxygen in TiO2 with a rutile structure have been calculated by the projector augmented-wave method within the electron density functional theory. We have derived… read more here.
Keywords: diffusion properties; diffusion; properties oxygen; method ... See more keywords