Journal
CHEMCATCHEM
Volume 9, Issue 2, Pages 253-257Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cctc.201601295
Keywords
alloys; density functional calculations; gold; oxidation; palladium
Categories
Funding
- U.S. Department of Energy
- Office of Science
- Basic Energy Sciences
- Chemical Sciences
- Geosciences
- Biosciences Division
- Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]
- Karlsruhe Nano Micro Facility (KNMF) long term project
Ask authors/readers for more resources
The same mechanism and microkinetic model used for benzyl alcohol oxidation over Pd/C was shown to apply to benzyl alcohol oxidation over AuPd/C. Almost all of the selectivity differences could be explained by a decrease in oxygen adsorption on AuPd. After isolating oxygen adsorption as being the origin of the selectivity differences, density functional theory was used to investigate the oxygen adsorption properties of a pure Pd surface, a pure Au surface, and an alloyed AuPd surface. The calculations showed that Au-Pd alloying decreased the oxygen adsorption properties relative to pure Pd, which explained the selectivity differences, consistent with the microkinetic modeling.
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