| AVS 62nd International Symposium & Exhibition | |
| Surface Science | Tuesday Sessions |
| Session SS+AS+EN-TuA |
| Session: | Mechanistic Insight of Surface Reactions: Catalysis, ALD, etc. - II |
| Presenter: | Liney Arnadottir, Oregon State University |
| Authors: | L. Arnadottir, Oregon State University L. Halberstadt, Oregon State University |
| Correspondent: | Click to Email |
Previous computational studies of methanol oxidation reaction intermediates (H-C=O and C-OH) have shown significant effects of water on both adsorbate adsorption energy as well as activation energies of interconversion between the two. On a clean Pt(111) surface the interconversion between the two forms goes through a very stable COads and Hads intermediates and the activation barriers of CO + H to from HCO or COH are high or 1.3 and 1.8 eV respectively. In the presence of a single coadsorbed water molecule the activation barrier for this interconversion from HCO to COH was found to be much lower or 0.62 eV. These studies were motivated by experimental studies of methanol oxidation on Pt which found CO2 formation at potentials lower then typically required for CO oxidation. Here we investigate Pt-water interactions and the effects of co-adsorbate CO on water dissociation as a possible CO assisted water dissection as an alternative reaction pathway on Pt surfaces.