Support Effects Examined by a Comparative Theoretical Study of Au, Cu and CuAu Nanoclusters on Rutile and Anatase Surfaces
Résumé
The role of the support anatase TiO2(100) and rutile TiO2(110) on the energetics, the shape and the charge transfer of deposited CuAu nanoclusters ( 1 nm) has been examined by using density functional theory calculations including Hubbard correction (DFT+U). Regular
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