Selective catalytic reduction of NOx by NH3 on Fe/HBEA zeolite catalysts in oxygen-rich exhaust

<div> <div> <div> <p>We computationally investigate the mechanism of the reduction half-cycle of the selective catalytic reduction (SCR) of nitrogen oxides with ammonia. We compare both Fe- and Cu-doped zeolite catalysts and aim at exploring all accessible reaction pathways. From our calculations, a comprehensive picture emerges that unifies sev- eral previous mechanistic proposals. We find that both for Fe and for Cu catalysts, different reaction pathways are feasible, but some of the possible reaction pathways differ in these two cases. Our computational results provide a basis for the inter- pretation of in situ spectroscopic investigations that can possibly distinguish the different mechanistic pathways. </p> </div> </div> </div>

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Operando Spatially- and Time-Resolved XAS Study on Zeolite Catalysts for Selective Catalytic Reduction of NOx by NH3

The Journal of Physical Chemistry C ◽

10.1021/jp5028433 ◽

2014 ◽

Vol 118 (19) ◽

pp. 10204-10212 ◽

Cited By ~ 61

Author(s):

Dmitry E. Doronkin ◽

Maria Casapu ◽

Tobias Günter ◽

Oliver Müller ◽

Ronald Frahm ◽

...

Keyword(s):

Selective Catalytic Reduction ◽

Catalytic Reduction ◽

Zeolite Catalysts ◽

Time Resolved ◽

Reduction Of Nox

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Recent advances in copper-based zeolite catalysts with low-temperature activity for the selective catalytic reduction of NOx with hydrocarbons

New Journal of Chemistry ◽

10.1039/c9nj04735b ◽

2020 ◽

Vol 44 (3) ◽

pp. 817-831 ◽

Cited By ~ 3

Author(s):

Junqiang Xu ◽

Yahua Qin ◽

Honglin Wang ◽

Fang Guo ◽

Jiaqing Xie

Keyword(s):

Catalytic Activity ◽

Low Temperature ◽

Selective Catalytic Reduction ◽

Catalytic Reduction ◽

Zeolite Catalysts ◽

Design Strategies ◽

Recent Advances ◽

Reduction Of Nox

This paper highlights the design strategies of the copper-based zeolite catalysts with excellent catalytic activity at low temperature for HC-SCR.

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Local dynamics of copper active sites in zeolite catalysts for selective catalytic reduction of NOx with NH3

Applied Catalysis B Environmental ◽

10.1016/j.apcatb.2018.05.091 ◽

2018 ◽

Vol 237 ◽

pp. 263-272 ◽

Cited By ~ 10

Author(s):

Peirong Chen ◽

Abhishek Khetan ◽

Magdalena Jabłońska ◽

Johannes Simböck ◽

Martin Muhler ◽

...

Keyword(s):

Selective Catalytic Reduction ◽

Active Sites ◽

Catalytic Reduction ◽

Zeolite Catalysts ◽

Local Dynamics ◽

Reduction Of Nox

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Computational Insights into the Mechanism of the Selective Catalytic Reduction of NOx: Fe- Versus Cu-Doped Zeolite Catalysts

10.26434/chemrxiv.7538720.v2 ◽

2019 ◽

Author(s):

Julian Rudolph ◽

Christoph R. Jacob

Keyword(s):

Selective Catalytic Reduction ◽

Catalytic Reduction ◽

Zeolite Catalysts ◽

Reaction Pathways ◽

Half Cycle ◽

Computational Results ◽

Comprehensive Picture ◽

Cu Catalysts ◽

Reduction Of Nox

<div> <div> <div> <p>We computationally investigate the mechanism of the reduction half-cycle of the selective catalytic reduction (SCR) of nitrogen oxides with ammonia. We compare both Fe- and Cu-doped zeolite catalysts and aim at exploring all accessible reaction pathways. From our calculations, a comprehensive picture emerges that unifies sev- eral previous mechanistic proposals. We find that both for Fe and for Cu catalysts, different reaction pathways are feasible, but some of the possible reaction pathways differ in these two cases. Our computational results provide a basis for the inter- pretation of in situ spectroscopic investigations that can possibly distinguish the different mechanistic pathways. </p> </div> </div> </div>

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