Project Details
Projekt
Gold nanocatalysts promoted by admixtures of silver for low-temperature CO oxidation and propylene epoxidation: Mechanistic density functional studies
Applicant
Professorin Dr. Lyudmila V. Moskaleva
Subject Area
Theoretical Chemistry: Molecules, Materials, Surfaces
Physical Chemistry of Solids and Surfaces, Material Characterisation
Physical Chemistry of Solids and Surfaces, Material Characterisation
Term
from 2009 to 2015
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 105368746
The aim of the project is to understand at the microscopic level the mechanisms of O2 activation during catalytic CO oxidation and propylene epoxidation on gold-based catalysts. In particular, the role of silver admixtures and of low-coordinated surface sites shall be elucidated. The O2 activation is thought to be the rate-limiting step common to many oxidation processes, and thus should be a key to the high activity of considered catalysts, particularly at low temperatures. Unsupported nanoporous gold generated by leaching of Au-Ag alloys exhibited significant catalytic activity for CO oxidation. It was suggested by the host group that residual silver could be responsible for facilitating molecular oxygen adsorption, although other special properties of this material, such as the abundance of low-coordinated sites, might also contribute to the observed behavior. The present theoretical study on pertinent catalytic systems will complement experimental activities of the host group. Mono- or bimetallic Au(1-x)Agx (0
DFG Programme
Research Grants
International Connection
Spain
Participating Persons
Professor Dr. Marcus Bäumer; Professor Dr. Thorsten Klüner; Professor Dr. Konstantin M. Neyman
