The Direct Oxidation of CO on the Highly Active Pt-Skin Pt3Ni(111) Surface: a First Principles Study
The catalytic properties of the Pt3Ni(111) surface with Pt-skin [denoted as Pt-skin Pt3Ni(111)] are investigated through the adsorption and oxidation properties of CO on the Pt-skin Pt3Ni(111). It is found that, on the Pt-skin Pt3Ni(111), the adsorption of CO and O is weaker than that on the Pt(111) due to alloying with Ni. The CO reacts with the coadsorbed O atom and forms a CO2 species which binds weakly to the surface and can easily desorb from the surface, indicating that the CO can be oxidized directly on the Pt-skin Pt3Ni(111).
Z. X. Yang et al., "The Direct Oxidation of CO on the Highly Active Pt-Skin Pt3Ni(111) Surface: a First Principles Study", Advanced Materials Research, Vol. 213, pp. 147-151, 2011