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A first principles study of Pd deposition on the TiO2(1 1 0) surface

✍ Scribed by Javier Fdez. Sanz; Norge Cruz Hernández; Antonio Márquez


Book ID
105886853
Publisher
Springer
Year
2000
Tongue
English
Weight
153 KB
Volume
104
Category
Article
ISSN
1432-2234

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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