Dynamic Formation of Catalytic Active Sites during CO Oxidation on TiO2 and CeO2-Supported Gold Nanoparticles

Rousseau, Roger

Thursday, June 18, 2015: 4:20 PM

408-410 (Lawrence Convention Center)

Yanggang Wang¹, Yeohoon Yoon², David Cantu², Malsoon Lee², Donghai Mei², Jun Li¹, Vassiliki-Alexandra Glezakou² and Roger Rousseau², (1)PNNL, USA, (2)Pacific Northwest National Laboratory, USA.

CO oxidation by Au on TiO₂ and CeO₂is studied by ab initio molecular dynamics. On TiO₂ reactivity occurs with adsrorbed O₂^2- at the metal oxide interface on CeO₂ it proceeds by a Mars-van Krevelen mechanism catalyzed by a single-atom site.

Extended Abstracts:

Rousseau_NAM_2015_abstract.pdf (366.7KB) - Extended Abstract

O-Th-408-17 Dynamic Formation of Catalytic Active Sites during CO Oxidation on TiO2 and CeO2-Supported Gold Nanoparticles