Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/224308
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Decisive role of the energetics of dissociation products in the adsorption of water on O/Ru(0001) |
Autor: | Cabrera-Sanfélix, Pepa CSIC; Arnau, Andrés CSIC ORCID; Mugarza, Aitor CSIC ORCID; Shimizu, Tomoko K.; Salmerón, Miquel; Sánchez-Portal, Daniel CSIC ORCID | Fecha de publicación: | 2008 | Editor: | American Physical Society | Citación: | Physical Review B 78(15): 155438 (2008) | Resumen: | Using density-functional theory we found that, depending on coverage, coadsorbed oxygen can act both as a promoter and as an inhibitor of the dissociation of water on Ru(0001), the transition between these two behaviors occurring at ∼0.2 ML. The key factor that determines this transition is the adsorption energy of the reaction products, OH in particular. The chemistry of this coadsorbed system is dictated by the effective coordination of the Ru atoms that participate in the bonding of the different species. In particular, we observed that a low coverage of oxygen increases the adsorption energy of the OH fraction on the Ru surface. This surprising extra stabilization of the OH with the coadsorption of oxygen can be understood in the context of the metallic bonding and could well correspond to a general trend for the coadsorption of electronegative species on metallic surfaces. | Versión del editor: | http://dx.doi.org/10.1103/PhysRevB.78.155438 | URI: | http://hdl.handle.net/10261/224308 | DOI: | 10.1103/PhysRevB.78.155438 | Identificadores: | doi: 10.1103/PhysRevB.78.155438 issn: 2469-9950 |
Aparece en las colecciones: | (ICMAB) Artículos (CFM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
decisiRu.pdf | 315,25 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
SCOPUSTM
Citations
12
checked on 20-abr-2024
WEB OF SCIENCETM
Citations
15
checked on 26-feb-2024
Page view(s)
94
checked on 23-abr-2024
Download(s)
146
checked on 23-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
Este item está licenciado bajo una Licencia Creative Commons