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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Bibliographic Details
Main Author: Nevalaita, Janne
Other Authors: Matemaattis-luonnontieteellinen tiedekunta, Faculty of Sciences, Fysiikan laitos, Department of Physics, University of Jyväskylä, Jyväskylän yliopisto
Format: Master's thesis
Language:eng
Published: 2011
Subjects:
Online Access: https://jyx.jyu.fi/handle/123456789/37046
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