Adsorption energy of small molecules on core-shell Feu nanoparticles: tuning by shell thickness

The adsorption of several small molecules on different gold surfaces, Au(001), strained Au(001) and Au(001) epitaxied on Fe(001), has been characterized using density functional theory. The surface strain leads to a less energetically favourable adsorption for all studied molecules. Moreover, the pr...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2016-03, Vol.18 (13), p.9112-9123
Hauptverfasser:	Benoit, Magali, Tarrat, Nathalie, Morillo, Joseph
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Carbon Carbon monoxide Gold Iron Monolayers Substrates Surface chemistry
Online-Zugang:	Volltext
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