Detailseite
Projekt
Zur fördernden Wirkung von Spuren von Silber in Gold-Nanokatalysatoren für die Epoxidation von Propen und die CO-Oxidation bei niedrigen Temperaturen: Mechanistische Untersuchung mit Dichtefunktional-Rechnungen
Antragstellerin
Professorin Dr. Lyudmila V. Moskaleva
Fachliche Zuordnung
Theoretische Chemie: Moleküle, Materialien, Oberflächen
Physikalische Chemie von Festkörpern und Oberflächen, Materialcharakterisierung
Physikalische Chemie von Festkörpern und Oberflächen, Materialcharakterisierung
Förderung
Förderung von 2009 bis 2015
Projektkennung
Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 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-Verfahren
Sachbeihilfen
Internationaler Bezug
Spanien
Beteiligte Personen
Professor Dr. Marcus Bäumer; Professor Dr. Thorsten Klüner; Professor Dr. Konstantin M. Neyman
