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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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Bibliografiske detaljer
Udgivet i:Proc Math Phys Eng Sci
Main Authors: Fischer, Julia M., Mahlberg, David, Roman, Tanglaw, Groß, Axel
Format: Artigo
Sprog:Inglês
Udgivet: The Royal Society 2016
Fag:
Online adgang: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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