Mechanistic insight into the selective catalytic reduction of NO by NH3 over low-valent titanium-porphyrin: a DFT study

2016 ◽  
Vol 6 (11) ◽  
pp. 3878-3885 ◽  
Author(s):  
Phornphimon Maitarad ◽  
Jittima Meeprasert ◽  
Liyi Shi ◽  
Jumras Limtrakul ◽  
Dengsong Zhang ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
Theoretical Study ◽  
Catalytic Reduction ◽  
Dft Study ◽  
Reduction Of No ◽  
Mechanistic Insight ◽  
Scr Of No ◽  
Low Valent ◽  
Insight Into

The theoretical study shows that Ti-porphyrin has potential as an alternative catalyst for NH3-SCR of NO.

Mechanistic insight into the influence of O2 on N2O formation in the selective catalytic reduction of NO with NH3 over Pd/CeO2 catalyst

2021 ◽  
Author(s):  
Liping Sheng ◽  
Songda Li ◽  
Zhaoxia Ma ◽  
Fei Wang ◽  
Hu He ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
No Reduction ◽  
Catalytic Reduction ◽  
Temperature Dependent ◽  
N2o Formation ◽  
Reduction Of No ◽  
Mechanistic Insight ◽  
Insight Into

O2 greatly affected the pathway for NO reduction over the Pd/CeO2 catalyst and resulted in a temperature-dependent NH3-SCR performance and formation of N2O.

Mechanistic insight into the methanol selective catalytic reduction of NO reaction over Cu-containing perovskites

2019 ◽  
Vol 377 ◽  
pp. 480-493 ◽  
Author(s):  
Hao Wang ◽  
Runduo Zhang ◽  
Peixin Li ◽  
Sébastien Royer ◽  
Jean-Philippe Dacquin
Keyword(s):  
Selective Catalytic Reduction ◽  
Catalytic Reduction ◽  
Reduction Of No ◽  
Mechanistic Insight ◽  
Insight Into

Mechanistic insight into the selective catalytic reduction of NO by NH3 over α-Fe2O3 (001): a density functional theory study

2019 ◽  
Vol 9 (1) ◽  
pp. 116-124 ◽  
Author(s):  
Qilong Fang ◽  
Baozhong Zhu ◽  
Yunlan Sun ◽  
Zicheng Zhu ◽  
Minggao Xu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Selective Catalytic Reduction ◽  
Density Functional ◽  
Catalytic Reduction ◽  
Adsorption Properties ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Reduction Of No ◽  
Mechanistic Insight ◽  
Insight Into

The adsorption properties and the selective catalytic reduction mechanism of NO, NH3 and O2 molecules over the α-Fe2O3 (001) surface were studied by density functional theory.

Theoretical Design of Transition Metal-Doped TiO2 for the Selective Catalytic Reduction of NO with NH3 by DFT Calculations

2022 ◽  
Author(s):  
Huiling Zheng ◽  
Renjie Li ◽  
Chengming Zhong ◽  
Zhi Li ◽  
Yikun Kang ◽  
...  
Keyword(s):  
Low Temperature ◽  
Transition Metal ◽  
Selective Catalytic Reduction ◽  
Transition Metal Oxides ◽  
Catalytic Reduction ◽  
Trade Off ◽  
Reduction Of No ◽  
Theoretical Design ◽  
Scr Of No ◽  
Metal Doped

Many transition metal oxides supported on TiO2 have been studied for selective catalytic reduction (SCR) of NO with NH3. However, the trade-off exists between the low-temperature activity and N2 selectivity....

Cu-Supported on Sodium-Treated Sepiolite for Selective Catalytic Reduction of NO by Propylene

2015 ◽  
Vol 1088 ◽  
pp. 569-572
Author(s):  
Zhi Hao Zhang ◽  
Yang Li ◽  
Yun Fang Qi ◽  
Qing Ye ◽  
Shu Lan Ji ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
High Performance ◽  
Catalytic Reduction ◽  
Incipient Wetness Impregnation ◽  
Impregnation Method ◽  
Redox Species ◽  
Reduction Of No ◽  
Catalytic Activities ◽  
Scr Of No ◽  
Activity Center

Cu/Na-Sep samples were prepared by the incipient wetness impregnation method. These catalysts were characterized by means of XRF, XRD, and XPS techniques, and their catalytic activities were performed by the SCR of NO with propylene. The results show that the Cu/Na-Sep catalyst exhibited the high performance in the C3H6-SCR of NO. After investigation by XRD and XPS, the result showed that there are Cu2+/Cu+redox species as a reaction activity center over Cu/Na-Sep.

Photo-assisted selective catalytic reduction of NO by Z-scheme natural clay based photocatalyst: Insight into the effect of graphene coupling

2018 ◽  
Vol 357 ◽  
pp. 59-68 ◽  
Author(s):  
Xiazhang Li ◽  
Xiangyu Yan ◽  
Xiaowang Lu ◽  
Shixiang Zuo ◽  
Zhongyu Li ◽  
...  
Keyword(s):  
Selective Catalytic Reduction ◽  
Catalytic Reduction ◽  
Natural Clay ◽  
Reduction Of No ◽  
Insight Into

Activity and SO2 resistance of amorphous CeaTiOx catalysts for the selective catalytic reduction of NO with NH3: in situ DRIFT studies

2016 ◽  
Vol 6 (19) ◽  
pp. 7151-7162 ◽  
Author(s):  
Zhiping Zhang ◽  
Liqiang Chen ◽  
Zhibin Li ◽  
Pengying Li ◽  
Fulong Yuan ◽  
...  
Keyword(s):  
High Activity ◽  
Selective Catalytic Reduction ◽  
Catalytic Reduction ◽  
Strong Interactions ◽  
Sulfur Resistance ◽  
Reduction Of No ◽  
Scr Of No ◽  
So2 Resistance ◽  
In Situ Drift

Amorphous Ce0.3TiOx exhibits a high activity and sulfur resistance for NH3-SCR of NO due to the strong interactions between Ce and Ti.

scholarly journals Physicochemical and Catalytic Properties of Vanadia/Titania Catalysts. V. Selective Catalytic Reduction of NO with NH3

2002 ◽  
Vol 20 (10) ◽  
pp. 937-945
Author(s):  
Th. El-Nabarawy ◽  
M.N. Alaya ◽  
S.A. Sayed Ahmed ◽  
A.M. Youssef
Keyword(s):  
Selective Catalytic Reduction ◽  
Catalytic Properties ◽  
Catalytic Reduction ◽  
Impregnation Method ◽  
Reduction Of No ◽  
No Conversion ◽  
Scr Of No ◽  
Monolayer Coverage

Vanadia/titania catalysts were prepared containing 6.0 or 8.0 wt% V2O5 via the impregnation method. The samples as prepared were calcined at 400°C or 600°C, respectively. Selective catalytic reduction (SCR) of NO with NH3 was carried out at 257°C over the prepared catalysts. NO conversion as a function of time was followed and the stationary conversion versus the amount of catalyst employed was also investigated. It was found that the vanadia/titania catalysts calcined at 400°C were more active in the SCR of NO with NH3 relative to those calcined at 600°C. This was attributed to such catalysts possessing complete monolayer coverage of vanadia on the titania substrate. It was established that V5+ was not the active vanadia species but V4+ and V3+ may act as such for the SCR of NO with NH3.

Sign in / Sign up

Export Citation Format

Share Document