| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9614695 | Journal of Molecular Catalysis A: Chemical | 2005 | 7 Pages |
Abstract
The adsorption of CO over Cu1, Cu2 and Cu3 deposited on a SiO defect of silica was studied using DFT. The CO adsorption strength follows this order: Cu1 > Cu2 â¥Â Cu3. While for closed-shell systems CO shows the lower frequency shifts, for the open-shell systems the behaviour is the opposite. This could be related with the variation of polarizabilities when CO interacts with Cun/SiO2.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Ricardo M. Ferullo, Norberto J. Castellani,