Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5358253 | Applied Surface Science | 2015 | 8 Pages |
Abstract
- We study CO adsorption on clean SnO2(1Â 1Â 0) and on Pd-SnO2 surfaces by DFT calculations.
- CO adsorption is energetically more favourable in the presence of Pd.
- The most stable adsorption sites are those with the C atom bonded to Pd.
- A C-surface bond is formed producing a weakening of its first neighbours surface bonds.
- CO molecule withdraws charge from the surface.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Pablo Bechthold, MarÃa Estela Pronsato, Carolina Pistonesi,