| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380447 | Chemical Physics Letters | 2014 | 6 Pages |
Abstract
- O2 adsorption and CO oxidation on Au/rutile TiO2(1Â 1Â 0) are examined by DFT.
- Pentacoordinate Ti at and away from the perimeter both adsorb and activate O2.
- O2 adsorption is strongest at the perimeter.
- The energy barrier is smaller at the perimeter where CO is activated on Au.
- Thus, CO oxidation occurs predominantly at the perimeter.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hiroaki Koga, Kohei Tada, Mitsutaka Okumura,