| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5423044 | Surface Science | 2012 | 9 Pages |
Abstract
⺠Adsorption of HVOx species on anatase TiO2 surfaces was modeled by periodic DFT method. ⺠Five-coordinated vanadia species was found to be more stable on the TiO2(001) surface. ⺠Monomeric VOx species was found to be stabilized better on the (001) surface. ⺠Bridging V-O-Ti oxygens may have higher reactivity than terminal vanadyl oxygens.
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Authors
Yu-Jue Du, Zhen Hua Li, Kang-Nian Fan,