The configuration and electronic state of SO sub(3) adsorbed on Au surface

We evaluated the adsorption of SO sub(3) molecule on Au (1 1 1) surface using first principles calculation by a slab model with a periodic boundary condition. We find that there are six stable adsorption configurations on an Au surface, where the SO sub(3) molecule is adsorbed above the three-fold f...

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Veröffentlicht in:	The Journal of physics and chemistry of solids 2011-01, Vol.72 (1), p.10-16
Hauptverfasser:	Suzuki, Chikashi, Nakagiri, Toshio
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Bonding strength Charge Charge transfer Electronic structure Gold Molecular orbitals Surface chemistry
Online-Zugang:	Volltext
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