Hydrogen peroxide is an important oxidant that is increasingly being employed in selective oxidation reactions over support metal catalysts. We present a density functional theory study of the adsorption of H
2
O
2
to the components of a model Au/TiO
2
system based on Au
10
nanoclusters and the rutile TiO
2
(110) surface. We find that H
2
O
2
decomposes easily to 2OH on the metal nanoparticles while the interaction with surface hydroxyls on TiO
2
(110) gives a low barrier to a surface OOH species. This work suggests that the production of H
2
O
2
takes place at the interface between the particle and oxide and we further show how this interface region is influenced by the hydroxylation of the surface.
Selective Oxidation Reactions of Natural Compounds with Hydrogen Peroxide Mediated by Methyltrioxorhenium
