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Water adsorption on bimetallic PtRu/Pt(111) surface alloys

The adsorption of water on bimetallic PtRu/Pt(111) surface alloys has been studied based on periodic density functional theory calculations including dispersion corrections. The Ru atoms of the PtRu surface alloy interact more strongly with water than Pt atoms, as far as both single water molecules...

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Detalhes bibliográficos
Publicado no:Proc Math Phys Eng Sci
Main Authors: Fischer, Julia M., Mahlberg, David, Roman, Tanglaw, Groß, Axel
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5095452/
https://ncbi.nlm.nih.gov/pubmed/27843411
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rspa.2016.0618
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