Article ID Journal Published Year Pages File Type
1561468 Computational Materials Science 2012 8 Pages PDF
Abstract
► O adatom adsorption on a (0 0 1) surface is stronger than that on a (1 0 1) surface. ► An O adatom mainly oscillates around a O2c on a (0 0 1) surface. ► O adatom diffusion barriers on (1 0 1) surfaces are lower than that on (0 0 1) surfaces.
Keywords
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Preview
Adsorption and diffusion studies of an O adatom on TiO2 anatase surfaces with first principles calculations
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