| Publication Type |
Journal Article |
| School or College |
College of Engineering |
| Department |
Materials Science & Engineering |
| Creator |
Liu, Feng |
| Other Author |
Pala, Raj Ganesh S. |
| Title |
Nature of reactive O2 and slow CO2 evolution kinetics in CO oxidation by TiO2 supported Au cluster |
| Date |
2006 |
| Description |
Recent experiments on CO oxidation reaction using seven-atom Au clusters deposited on TiO2 surface correlate CO2 formation with oxygen associated with Au clusters. We perform first principles calculations using a seven-atom Au cluster supported on a reduced TiO2 surface to explore potential candidates for the form of reactive oxygen. These calculations suggest a thermodynamically favorable path for O2 diffusion along the surface Ti row, resulting in its dissociated state bound to Au cluster and TiO2 surface. CO can approach along the same path and react with the O2 so dissociated to form CO2. The origin of the slow kinetic evolution of products observed in experiments is also investigated and is attributed to the strong binding of CO2 simultaneously to the Au cluster and the surface. |
| Type |
Text |
| Publisher |
American Institute of Physics (AIP) |
| Journal Title |
The Journal of Chemical Physics |
| Volume |
125 |
| Issue |
14 |
| First Page |
144714 |
| DOI |
10.1063/1.2355670 |
| citatation_issn |
219606 |
| Subject |
Au clusters; TiO2; Kinetic evolution |
| Subject LCSH |
Carbon monoxide -- Oxidation; Catalysts |
| Language |
eng |
| Bibliographic Citation |
Pala, R. G. S., & Liu F. (2006). Nature of reactive O2 and slow CO2 evolution kinetics in CO oxidation by TiO2 supported Au cluster. Journal of Chemical Physics, 125(14), 144714. |
| Rights Management |
(c)American Institute of Physics. The following article appeared in Pala, R. G. S., & Liu F., Journal of Chemical Physics, 125(14), 2006 and may be found at http://dx.doi.org/10.1063/1.2355670 |
| Format Medium |
application/pdf |
| Format Extent |
248,447 bytes |
| Identifier |
ir-main,12138 |
| ARK |
ark:/87278/s6tb1rg5 |
| Setname |
ir_uspace |
| ID |
706673 |
| Reference URL |
https://collections.lib.utah.edu/ark:/87278/s6tb1rg5 |
