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Water dissociation and water-gas shift energetics on MgO, MgO/Ag and Au/MgO/Ag surfaces
2011Water 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 analysis on the origin of the energetically favored ...
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