COLL 522 |
| Annabella Selloni, Department of Chemistry, Department of Chemistry, Princeton University, Washington Rd, Princeton, NJ 08544 |
| Gold nanoparticles on a TiO2 support have been shown to be among the most efficient catalysts for carbon monoxide oxidation.Despite a large number of studies, there is no commonly accepted opinion about the mechanisms of such a high activity. To get insight into some of the factors of this activity, we have studied the adsorption of CO and O2 as well as possible mechanisms of CO oxidation on both the bare TiO2 surface and on small TiO2-supported gold clusters using first principles density functional calculations. Our results show that the surface stoichiometry plays a central role in this problem. |
|
Mechanistic Surface Chemistry
Division of Colloid and Surface Chemistry |