Theoretical study on NOx adsorption properties over the α-MnO2(110) surface

Herein, α-MnO2 was studied as an adsorbent for the removal of NOx (NO, NO2) derived from flue gas. First-principles calculations based on the density functional theory (DFT) were performed to investigate the NOx adsorption properties over the α-MnO2(110) surface. NO strongly adsorbed over the α-MnO2...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	RSC advances 2020-03, Vol.10 (16), p.9539-9548
Hauptverfasser:	Hao, Xingguang, Song, Xin, Li, Kai, Wang, Chi, Li, Kunlin, Li, Yuan, Sun, Xin, Ning, Ping
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Charge transfer Chemical equilibrium Chemisorption Chemistry Density functional theory Enthalpy First principles Flue gas Manganese dioxide Nitrogen dioxide Surface chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!