| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6527909 | Journal of Catalysis | 2012 | 12 Pages |
Abstract
⺠First ab initio modeling of propene oxidation over a V2O5 monolayer on TiO2. ⺠Reaction network not limited to allylic oxidation only. ⺠Reaction mechanism includes detailed description of catalyst reduction. ⺠V2O5 is overall more active; V2O5/TiO2 is more selective in acrolein formation. ⺠Disproportionation of V4+ on V2O5/TiO2 hinders product desorption.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Konstantinos Alexopoulos, Marie-Françoise Reyniers, Guy B. Marin,