Journal
CHEMICAL PHYSICS LETTERS
Volume 367, Issue 3-4, Pages 344-350Publisher
ELSEVIER
DOI: 10.1016/S0009-2614(02)01699-8
Keywords
-
Ask authors/readers for more resources
With density functional theory, we have examined oxygen adsorption at surface and subsurface sites of Ag {111}. The microscopic structure of Ag oxide epitaxed to Ag {111} has also been determined. In agreement with a recent scanning tunneling microscopy study, non-stoichiometric oxide growth is favoured over the previously assumed stoichiometric growth. An ab initio phase diagram for O on Ag {111} has been constructed from the adsorption free energy of the various O and Ag oxide phases. The key finding is that under real conditions for ethylene epoxidation the active catalyst is likely to be non-stoichiometric Ag oxide. (C) 2002 Elsevier Science B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available