|
|||||
|
|
Making gold less noble |
|
| Authors: | M Mavrikakis P Stoltze JK Nørskov |
| Affiliation: | (1) Department of Chemical Engineering, University of Wisconsin–Madison, Madison, WI 53706, USA;(2) Department of Chemical Engineering, Aalborg, University of Esbjerg, DK‐6700 Esbjerg, Denmark;(3) Center for Atomic‐Scale Materials Physics, Department of Physics, Technical University of Denmark, DK‐2800 Lyngby, Denmark |
| Abstract: | Self‐consistent density functional calculations for the adsorption of O and CO on flat and stepped Au(111) surfaces are used to investigate effects which may increase the reactivity of Au. We find that the adsorption energy does not depend on the number of Au layers if there are more than two layers. Steps are found to bind considerably stronger than the (111) terraces, and an expansive strain has the same effect. On this basis we suggest that the unusually large catalytic activity of highly‐dispersed Au particles may in part be due to high step densities on the small particles and/or strain effects due to the mismatch at the Au–support interface. This revised version was published online in July 2006 with corrections to the Cover Date. |
| Keywords: | gold CO oxidation catalysis particle‐ size effect steps DFT supported metal clusters |
| 本文献已被 SpringerLink 等数据库收录！ | |