scholarly journals Rationally Tailoring Catalysts for the CO Oxidation Reaction by Using DFT Calculations

ACS Catalysis ◽  
2021 ◽  
pp. 116-125
Author(s):  
Dengxin Yan ◽  
Henrik H. Kristoffersen ◽  
Jack K. Pedersen ◽  
Jan Rossmeisl
Keyword(s):  
Dft Calculations ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Co Oxidation Reaction

Study of Pd–Au bimetallic catalysts for CO oxidation reaction by DFT calculations

2009 ◽  
Vol 11 (9) ◽  
pp. 1441 ◽  
Author(s):  
Jia Zhang ◽  
Hongmei Jin ◽  
Michael B. Sullivan ◽  
Freda Chiang Huay Lim ◽  
Ping Wu
Keyword(s):  
Dft Calculations ◽  
Co Oxidation ◽  
Bimetallic Catalysts ◽  
Oxidation Reaction ◽  
Co Oxidation Reaction

Understanding the facet-dependent catalytic performance of hematite microcrystals in a CO oxidation reaction

2018 ◽  
Vol 5 (9) ◽  
pp. 2332-2339 ◽  
Author(s):  
Liming Sun ◽  
Wenwen Zhan ◽  
Yan-An Li ◽  
Fan Wang ◽  
Xueliang Zhang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Co Oxidation ◽  
Surface Structure ◽  
Oxidation Reaction ◽  
Catalytic Performance ◽  
Experimental Results ◽  
Catalytic Activities ◽  
Co Oxidation Reaction ◽  
Unique Surface

α-Fe2O3 microcrystals with uniform plate, cube and rod morphologies have been synthesized. DFT calculations and experimental results indicated that the Fe2O3 nanorods showed an obvious improvement of CO catalytic activities due to their unique surface structure.

Transient Experiments on CO2Formation by the CO Oxidation Reaction over Oxygen-Rich Ru(0001) Surfaces

1999 ◽  
Vol 103 (30) ◽  
pp. 6267-6271 ◽  
Author(s):  
A. Böttcher ◽  
M. Rogozia ◽  
H. Niehus ◽  
H. Over ◽  
G. Ertl
Keyword(s):  
Co Oxidation ◽  
Oxidation Reaction ◽  
Co Oxidation Reaction ◽  
Transient Experiments

Synthesis of silica supported AuCu nanoparticle catalysts and the effects of pretreatment conditions for the CO oxidation reaction

2011 ◽  
Vol 13 (7) ◽  
pp. 2571 ◽  
Author(s):  
J. Chris Bauer ◽  
David Mullins ◽  
Meijun Li ◽  
Zili Wu ◽  
E. Andrew Payzant ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Oxidation Reaction ◽  
Nanoparticle Catalysts ◽  
Co Oxidation Reaction ◽  
Pretreatment Conditions

Atomically dispersed Au catalysts supported on CeO2 foam: controllable synthesis and CO oxidation reaction mechanism

Nanoscale ◽  
2017 ◽  
Vol 9 (43) ◽  
pp. 16817-16825 ◽  
Author(s):  
Hao Wang ◽  
Jianhua Shen ◽  
Jianfei Huang ◽  
Tengjing Xu ◽  
Jingrun Zhu ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Co Adsorption ◽  
Controllable Synthesis ◽  
Co Oxidation Reaction

The Au atoms on CeO2 foam are a more stable site for CO adsorption on the catalysts.

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