Adsorption of AuxCuy (x + y = 1, 2, 3) nanoclusters on the anatase TiO2(101) surface and their catalytic activity: a density functional theory study

The adsorption of Au_xCu_y (x + y = 1, 2, 3) nanoclusters on the anatase TiO₂(101) surface were studied in detail using density functional theory. The introduction of Cu atoms in Au clusters not only significantly reduces the cost, but also changes the catalytic process of Au/TiO₂, which may be helpful to some catalytic reactions.