Unraveling the Effect of Mo Dopant in Fe₂O₃ Catalyst for Selective Catalytic Reduction of Nitric Oxide with NH

Understanding the catalyst design principles for the selective catalytic reduction (SCR) of NO is critical to developing processes for the treatment of combustion exhaust gases. In this context, density functional theory (DFT) simulations were employed to unravel the active site structure of Fe₂O₃-b...

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Veröffentlicht in:	Industrial & engineering chemistry research 2024-04, Vol.63 (15 p.6591-6599), p.6591-6599
Hauptverfasser:	Selvaraj, Tamilmani, Aghalayam, P. (Preeti), Varghese, Jithin John
Format:	Artikel
Sprache:	eng
Schlagworte:	acidity active sites catalysts catalytic activity cleavage (chemistry) combustion density functional theory energy nitric oxide
Online-Zugang:	Volltext
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