Journal article
Water formation via HCl oxidation on Cu(100)
Applied Surface Science, Vol.299, pp.156-161
2014
Abstract
Using density functional theory and periodic slabs, we have studied water formation via HCl oxidation on the Cu(1 0 0) surface. We show that while adsorbed chlorine increases the stability of water on the Cu(1 0 0) surface, water molecules dissociate immediately when located next to an oxygen atom. We also show that these competing interactions, when arising from HCl reacting with oxygen on Cu(1 0 0), lead to water formation according to two different pathways depending on the temperature and oxygen coverage.
Details
- Title
- Water formation via HCl oxidation on Cu(100)
- Authors/Creators
- I.A. Suleiman (Author/Creator) - Taibah UniversityM.W. Radny (Author/Creator) - Poznań University of TechnologyM.J. Gladys (Author/Creator) - University of Newcastle AustraliaP.V. Smith (Author/Creator) - University of Newcastle AustraliaJ.C. Mackie (Author/Creator) - The University of SydneyM. Stockenhuber (Author/Creator) - University of Newcastle AustraliaE.M. Kennedy (Author/Creator) - University of Newcastle AustraliaB.Z. Dlugogorski (Author/Creator) - University of Newcastle Australia
- Publication Details
- Applied Surface Science, Vol.299, pp.156-161
- Publisher
- Elsevier BV
- Identifiers
- 991005541403307891
- Copyright
- © 2014 Elsevier B.V.
- Murdoch Affiliation
- School of Engineering and Information Technology
- Language
- English
- Resource Type
- Journal article
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InCites Highlights
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- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.41 Catalysts
- 2.41.25 Catalytic Oxidation
- Web Of Science research areas
- Chemistry, Physical
- Materials Science, Coatings & Films
- Physics, Applied
- Physics, Condensed Matter
- ESI research areas
- Materials Science