| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384742 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Adsorption and dissociation of the cis and trans azobenzene on the TiO2(1 1 0) was studied by DFT. ⺠Contrary to the gas phase case, the cis isomer is the most stable form on the rutile surface. ⺠The surface reduces the endothermic character of the reaction facilitating the NN bond cleavage. ⺠Van der Waals interactions proved to be an important component of the interaction energy.
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Authors
J.P. Prates Ramalho, Francesc Illas,