Structural, Energetic, and Vibrational Properties of NO x Adsorption on Ag n , n = 1−8

The density functional theory is used to explore structural, electronic, and vibrational properties of NO, NO2, and NO3 adsorption on small silver clusters, Ag n , with n =1−8. Generally, NO adsorbs in atop configuration, whereas NO2 and NO3 are adsorbed in bridge configuration. NO2 and NO3 introduc...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2007-07, Vol.111 (27), p.6062-6067
Hauptverfasser:	Grönbeck, Henrik, Hellman, Anders, Gavrin, Andreas
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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