Adsorption of Au atoms on stoichiometric
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Yun Wang; Gyeong S Hwang
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Article
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2003
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Elsevier Science
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English
β 277 KB
Using ab initio quantum mechanical methods (DFT-GGA/LDA, pseudopotentials) we have investigated the adsorption properties of Au atoms on stoichiometric and reduced TiO 2 (1 1 0) rutile surfaces. This study predicts that the most stable adsorption site for the Au atom on the stoichiometric surface is