[EN] The mechanism of propene epoxidation by H-2/H2O/O-2 mixtures catalyzed by gold atoms supported on defective graphene has been investigated by means of periodic density functional theory (DFT) calculations. The fact ...
Boronat Zaragoza, Mercedes; Pulido, Ángeles; Concepción Heydorn, Patricia; Corma Canós, Avelino(Royal Society of Chemistry, 2014)
The adsorption and dissociation of molecular O-2 over silver extended surfaces, nanoparticles and clusters of different size, as well as the reaction between adsorbed O-2 and H-2 to form less nucleophilic hydroperoxide ...