Car Exhaust Catalysis from First Principles:  Selective NO Reduction under Excess O2Conditions on Ir

2004 ◽  
Vol 126 (34) ◽  
pp. 10746-10756 ◽  
Author(s):  
Zhi-Pan Liu ◽  
Stephen J. Jenkins ◽  
David A. King
Keyword(s):  
First Principles ◽  
No Reduction ◽  
Car Exhaust

Car Exhaust Catalysis from First Principles: Selective NO Reduction under Excess O2 Conditions on Ir.

ChemInform ◽  
2004 ◽  
Vol 35 (45) ◽  
Author(s):  
Zhi-Pan Liu ◽  
Stephen J. Jenkins ◽  
David A. King
Keyword(s):  
First Principles ◽  
No Reduction ◽  
Car Exhaust

Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study

2014 ◽  
Vol 118 (23) ◽  
pp. 12216-12223 ◽  
Author(s):  
Wu-Chen Ding ◽  
Xiang-Kui Gu ◽  
Hai-Yan Su ◽  
Wei-Xue Li
Keyword(s):  
First Principles ◽  
No Reduction ◽  
First Principles Study

scholarly journals NO reduction over an Al-embedded MoS2 monolayer: a first-principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (67) ◽  
pp. 38973-38981 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Safa Heydari
Keyword(s):  
First Principles ◽  
No Reduction ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Mos2 Monolayer ◽  
Novel Catalyst

By performing first-principles calculations, we introduce a stable and novel catalyst for the conversion of NO and CO molecules into N2O and CO2 using Al-doped MoS2.

PdRuIr ternary alloy as an effective NO reduction catalyst: insights from first-principles calculation

2021 ◽  
Vol 23 (12) ◽  
pp. 7153-7163
Author(s):  
Susan Meñez Aspera ◽  
Ryan Lacdao Arevalo ◽  
Bhume Chantaramolee ◽  
Hiroshi Nakanishi ◽  
Hideaki Kasai
Keyword(s):  
Surface Activity ◽  
Ternary Alloy ◽  
First Principles ◽  
No Reduction ◽  
First Principles Calculation ◽  
Alloy Surface ◽  
Alloyed Surface

The PdRuIr ternary alloy surface is a promising catalyst for NO dissociation and is expected to be stable against the formation of volatile Ru oxide. A criterion for determining alloyed surface’ activity for NO dissociation is also proposed.

A first-principles understanding of the CO-assisted NO reduction on the IrRu/Al2O3 catalyst under O2-rich conditions

2021 ◽  
Author(s):  
Malik Waqar Arshad ◽  
Dong Hun Kim ◽  
Young-Woo You ◽  
Soo Min Kim ◽  
Iljeong Heo ◽  
...  
Keyword(s):  
First Principles ◽  
No Reduction ◽  
Surface Alloy ◽  
No Reduction By Co ◽  
Ensemble Effect ◽  
Bulk Structure ◽  
Al2o3 Catalyst

The IrRu alloy offered optimal energetics for NO reduction by CO. The ensemble effect plays a key role in promoting the reactivity of the IrRu alloy. Making the IrRu surface alloy is better for CO-SCR than forming an alloy over the bulk structure.

Sign in / Sign up

Export Citation Format

Share Document