First-Principles Characterization of NO x Adsorption on MgO

Alkaline earth oxides are leading candidates as NO x (x = 1, 2) sorbents; however, the understanding of adsorption and reaction of NO x on these surfaces is currently limited. In this paper, Mg(001) terrace cluster models and density functional theory (DFT) are used to characterize the adsorption pr...

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Veröffentlicht in:	The journal of physical chemistry. B 2003-01, Vol.107 (1), p.157-163
Hauptverfasser:	Miletic, Marina, Gland, John L., Hass, Kenneth C., Schneider, William F.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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