Active site and mechanism of the selective catalytic reduction of NO by NH3 over V2O5: A periodic first-principles study

2000 ◽  
Vol 2 (18) ◽  
pp. 4243-4248 ◽  
Author(s):  
Xilin Yin ◽  
Huanmei Han ◽  
Akira Miyamoto
Keyword(s):  
Selective Catalytic Reduction ◽  
Active Site ◽  
First Principles ◽  
Catalytic Reduction ◽  
Reduction Of No ◽  
First Principles Study

Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H2 on Pt(100): A First-Principles Study

2015 ◽  
Vol 119 (44) ◽  
pp. 24819-24826 ◽  
Author(s):  
Li-yuan Huai ◽  
Hui Wang ◽  
Chao-zheng He ◽  
Hong Wen ◽  
Wen-cai Yi ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
First Principles ◽  
Catalytic Reduction ◽  
Reduction Of No ◽  
First Principles Study ◽  
Subsurface Oxygen

scholarly journals First-Principles Microkinetic Model for Low-Temperature NH3-Assisted Selective Catalytic Reduction of NO over Cu-CHA

ACS Catalysis ◽  
2021 ◽  
pp. 14395-14407
Author(s):  
Yingxin Feng ◽  
Xueting Wang ◽  
Ton V. W. Janssens ◽  
Peter N. R. Vennestrøm ◽  
Jonas Jansson ◽  
...  
Keyword(s):  
Low Temperature ◽  
Selective Catalytic Reduction ◽  
First Principles ◽  
Catalytic Reduction ◽  
Reduction Of No ◽  
Microkinetic Model

Effect of Fe on the Selective Catalytic Reduction of NO by NH3 at Low Temperature over Mn/CeO2-TiO2 Catalyst

2012 ◽  
Vol 27 (5) ◽  
pp. 495-500 ◽  
Author(s):  
Da-Wang WU ◽  
Qiu-Lin ZHANG ◽  
Tao LIN ◽  
Mao-Chu GONG ◽  
Yao-Qiang CHEN
Keyword(s):  
Low Temperature ◽  
Selective Catalytic Reduction ◽  
Catalytic Reduction ◽  
Reduction Of No

The synergistic effects between Ce and Cu in CuyCe1−yW5Ox catalysts for enhanced NH3-SCR of NOx and SO2 tolerance

2019 ◽  
Vol 9 (3) ◽  
pp. 718-730 ◽  
Author(s):  
Jian-Wen Shi ◽  
Yao Wang ◽  
Ruibin Duan ◽  
Chen Gao ◽  
Baorui Wang ◽  
...  
Keyword(s):  
Metal Oxides ◽  
Selective Catalytic Reduction ◽  
Low Temperatures ◽  
Catalytic Reduction ◽  
Synergistic Effects ◽  
Reduction Of No ◽  
Nh3 Scr ◽  
So2 Tolerance ◽  
Scr Of Nox

Non-manganese-based metal oxides are promising catalysts for the NH3-SCR (selective catalytic reduction) of NOx at low temperatures.

scholarly journals Selective catalytic reduction of NO with NH3 over Cu-exchanged CHA, GME, and AFX zeolites: a density functional theory study

2021 ◽  
Author(s):  
Pei Zhao ◽  
Bundet Boekfa ◽  
Ken-ichi Shimizu ◽  
Masaru Ogura ◽  
Masahiro Ehara
Keyword(s):  
Density Functional Theory ◽  
Selective Catalytic Reduction ◽  
Density Functional ◽  
Catalytic Reduction ◽  
Density Functional Theory Calculations ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Reduction Of No ◽  
Cage Size

Density functional theory calculations have been applied to study the selectivity caused by the cage size during the selective catalytic reduction of NO by NH3 over the Cu-exchanged zeolites with cha, gme, and aft cages.

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