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Electronic properties of Au nano-particles supported on stoichiometric and reduced TiO2(1 1 0) substrates

✍ Scribed by T. Okazawa; M. Kohyama; Y. Kido


Book ID
108279398
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
936 KB
Volume
600
Category
Article
ISSN
0039-6028

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Adsorption of Au atoms on stoichiometric
✍ Yun Wang; Gyeong S Hwang πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 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