Journal article
Insights into the Reactivity of Supported Au Nanoparticles: Combining Theory and Experiments
Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark1
Department of Physics, Technical University of Denmark2
Sustainable and Green Chemistry, Department of Chemistry, Technical University of Denmark3
Department of Chemistry, Technical University of Denmark4
Center for Nanoteknologi, Centers, Technical University of Denmark5
The origin of the extraordinary catalytic activity of gold nanoparticles is discussed on the basis of density-functional calculations, adsorption studies on single crystal surfaces, and activity measurements on well characterized supported gold particles. A number of factors are identified contributing to the activity, and it is suggested that it is useful to consider low-coordinated Au atoms as the active sites, for example, CO oxidation and that the effect of the support can be viewed as structural and electronic promotion.
We identify the adsorption energy of oxygen and the Au-support interface energy as important parameters determining the catalytic activity.
| Language: | English |
|---|---|
| Publisher: | Kluwer Academic Publishers-Plenum Publishers |
| Year: | 2007 |
| Pages: | 15-26 |
| ISSN: | 15729028 and 10225528 |
| Types: | Journal article |
| DOI: | 10.1007/s11244-007-0335-3 |
| ORCIDs: | Bligaard, Thomas and Nørskov, Jens Kehlet |
