Article ID Journal Published Year Pages File Type
5423551 Surface Science 2011 7 Pages PDF
Abstract
► We perform DFT calculations to study adsorption and diffusion of an Au atom and dimer on a θ-Al2O3(001) surface. ► The θ-Al2O3(001) surface has an armchair-like configuration containing flat and trench areas. ► The adsorption energies and configurations of the small Au clusters are determined. ► The small Au clusters diffuse anisotropically on the θ-Al2O3(001) surface.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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