Adsorption of Atomic and Molecular Oxygen on the Au(321) Surface:  DFT Study

Spin-polarized density functional theory based calculations within the GGA/PW91 exchange-correlation functional have been carried out to investigate the interaction of atomic and molecular oxygen on the Au(321) surface modeled by a periodic supercell approach. It was found that the atoms prefer inte...

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Veröffentlicht in:	Journal of physical chemistry. C 2007-11, Vol.111 (46), p.17311-17321
Hauptverfasser:	Fajín, José L. C, Cordeiro, M. Natália D. S, Gomes, José R. B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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