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Support Effects Examined by a Comparative Theoretical Study of Au, Cu and CuAu Nanoclusters on Rutile and Anatase Surfaces
Journal article   Peer reviewed

Support Effects Examined by a Comparative Theoretical Study of Au, Cu and CuAu Nanoclusters on Rutile and Anatase Surfaces

Marwa Dhifallah, Mathilde Iachella, Adnene Dhouib, Francesco Di Renzo, David Loffreda and Hazar Guesmi
Journal of physical chemistry. C, Vol.123(8), pp.4892-4902
28/02/2019
DOI: https://doi.org/10.1021/acs.jpcc.8b11812

Abstract

Chemical Sciences Condensed Matter Coordination chemistry Materials Science Physics
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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