A DFT-D study on the reaction mechanism of selective catalytic reduction of NO by NH3 over the Fe2O3/Ni(111) surface

2021 ◽  
Vol 45 (14) ◽  
pp. 6458-6468
Author(s):  
Chaoyue Xie ◽  
Baozhong Zhu ◽  
Yunlan Sun

The adsorption and SCR reaction mechanism of NH3, NO, and O2 molecules on the Fe2O3/Ni(111) catalyst surface was revealed.

RSC Advances ◽  
2016 ◽  
Vol 6 (94) ◽  
pp. 91930-91939 ◽  
Author(s):  
Xuanxuan Cai ◽  
Wei Sun ◽  
Waqas Qamar Zaman ◽  
Limei Cao ◽  
Ji Yang

The reaction mechanism of the selective catalytic reduction of NO by hydrogen over Ni1−xCexCo1.95Pd0.05O4 catalysts.


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