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Stability of gold nanostructures on rutile TiO 2(110) surface

Stability of gold nanostructures on rutile TiO 2(110) surface,10.1016/j.susc.2010.12.033,Surface Science,T. Pabisiak,A. Kiejna

Stability of gold nanostructures on rutile TiO 2(110) surface  
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The adsorption of gold atoms and formation of nanostructures on the rutile TiO2(110) surface with different degree of oxygen reduction was studied from first principles. The Au atoms adsorb strongest at oxygen vacancy sites. Starting from a very low coverage limit the potential energy profiles or diffusion paths of the adsorbed Au monomers and dimers were calculated. Stable structures of two to nine Au atoms arranged in finite and infinite rows and in the shape of finite-size clusters were determined. All these structures are found to bind to the reduced surface stronger than 2eV/atom. The elongated Au row-like structures bind by about 0.1eV stronger than 3D clusters, suggesting a preference for the 1D-like Au growth mode on the missing-row reconstructed TiO2(110).
Journal: Surface Science - SURFACE SCI , vol. 605, no. 7, pp. 668-674, 2011
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