STACCHIOLA , Dario J.

Nanostructured RuOx/TiO2(110) catalysts have a remarkable catalytic activity for CO oxidation at temperatures in the range of 350-375 K. On the other hand, the RuO2(110) surface has no activity. The state-of-the-art DFT calculations indicate that the main reasons for such an impressive improvement in the catalytic activity are: (i) a decrease...

Inverse oxide/metal catalysts have shown to be excellent systems for studying the role of the oxide and oxide-metal interface in catalytic reactions. These systems can have special structural and catalytic properties due to strong oxide-metal interactions difficult to attain when depositing a metal on a regular oxide support. Oxide phases that...

Potassium deposition on TiO2(110) results in reduction of the substrate and formation of loosely bound potassium species that can move easily on the oxide surface to promote catalytic activity. The results of density functional calculations predict a large adsorption energy (∼3.2 eV) with a small barrier (∼0.25 eV) for diffusion on the oxide...