AVS 51st International Symposium
    Surface Science Wednesday Sessions
       Session SS1-WeM

Invited Paper SS1-WeM1
The Chemistry of Au Clusters Supported on Titania: Early Steps Towards Understanding the Mechanism of Propene Epoxidation

Wednesday, November 17, 2004, 8:20 am, Room 210B

Session: Metal Oxides and Clusters I: Formation and Structure
Presenter: H. Metiu, University of California, Santa Barbara
Authors: G. Mills, University of California, Santa Barbara
S. Chretian, University of California, Santa Barbara
V. Shapovalov, University of California, Santa Barbara
H. Metiu, University of California, Santa Barbara
Correspondent: Click to Email
We use density functional calculations to try to increase our understanding of the interactions of hydrogen, oxygen, propene, and propene oxide with gold clusters in gas phase, with titania, and with gold clusters supported on titania. Our goal is to clarify the mechanism of propene epoxidation. I will also report briefly on a collaboration with Martin Moskovits concerning the modification of catalytic activity of CO oxidation, by manipulating the electron density in tin oxide nanowires.