Water dissociation and water-gas shift energetics on MgO, MgO/Ag and Au/MgO/Ag surfaces
Water dissociation and the energetics of the WGS reaction on a bulk MgO, an Ag supported MgO thin film and Au/MgO/Ag surfaces is studied based on the density functional theory. The literature results for water splitting on MgO and MgO/Ag surfaces with a step type defect are repeated and further anal...
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| Other Authors: | , , , , , |
| Format: | Master's thesis |
| Language: | eng |
| Published: |
2011
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| Subjects: | |
| Online Access: | https://jyx.jyu.fi/handle/123456789/37046 |