Au Atoms and Dimers on the MgO(100) Surface:  A DFT Study of Nucleation at Defects

The adsorption of Au atoms at the surface of MgO and the formation of Au dimers have been studied by means of first principles DFT supercell calculations. Au atoms have been adsorbed on flat MgO terraces and monatomic steps but also at point defects such as oxygen vacancies (F centers) or divacancie...

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Veröffentlicht in:	The journal of physical chemistry. B 2005-04, Vol.109 (16), p.8040-8048
Hauptverfasser:	Del Vitto, Annalisa, Pacchioni, Gianfranco, Delbecq, Françoise, Sautet, Philippe
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences
Online-Zugang:	Volltext
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