scholarly journals The Beneficial Effect of Hydrogen on CO Oxidation over Au Catalysts. A Computational Study

Molecules ◽  
2011 ◽  
Vol 16 (11) ◽  
pp. 9582-9599 ◽  
Author(s):  
Akhtar Hussain ◽  
Jose Gracia ◽  
J. W. Niemantsverdriet ◽  
B. E. Nieuwenhuys
Keyword(s):  
Beneficial Effect ◽  
Co Oxidation ◽  
Computational Study

A computational study of the mechanism of CO oxidation by a ceria supported surface rhodium oxide layer

2013 ◽  
Vol 49 (37) ◽  
pp. 3851 ◽  
Author(s):  
Weiyu Song ◽  
Antonius P. J. Jansen ◽  
Volkan Degirmenci ◽  
D. A. J. Michel Ligthart ◽  
Emiel J. M. Hensen
Keyword(s):  
Co Oxidation ◽  
Oxide Layer ◽  
Computational Study ◽  
Rhodium Oxide

scholarly journals Combined experimental and computational study of CO oxidation promoted by Nb in manganese oxide octahedral molecular sieves

2015 ◽  
Vol 163 ◽  
pp. 361-369 ◽  
Author(s):  
Homer C. Genuino ◽  
Mohammad S. Seraji ◽  
Yongtao Meng ◽  
Diego Valencia ◽  
Steven L. Suib
Keyword(s):  
Co Oxidation ◽  
Manganese Oxide ◽  
Molecular Sieves ◽  
Computational Study ◽  
Octahedral Molecular Sieves

A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation

2018 ◽  
Vol 20 (11) ◽  
pp. 7508-7513 ◽  
Author(s):  
Yulu Liu ◽  
Hao Li ◽  
Wanglai Cen ◽  
Jianjun Li ◽  
Zhengming Wang ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Co Oxidation ◽  
Computational Study ◽  
Bimetallic Nanoclusters ◽  
Functional Nature

In this study, we used DFT calculations to investigate the bi-functional nature of Cu-based alloy nanoclusters (NCs) supported on CeO2(111) for CO oxidation.

scholarly journals The Sintering of Au Nanoparticles on Flat {100}, {111} and Zigzagged {111}-Nanofacetted Structures of Ceria and Its Influence on Catalytic Activity in CO Oxidation and CO PROX

2020 ◽  
Author(s):  
O. S. Bezkrovnyi ◽  
P. Kraszkiewicz ◽  
W. Mista ◽  
L. Kepinski
Keyword(s):  
Electron Microscopy ◽  
Thermal Stability ◽  
Catalytic Activity ◽  
Beneficial Effect ◽  
Co Oxidation ◽  
Au Nanoparticles ◽  
Ceria Support ◽  
Ceria Catalysts ◽  
Thermal Stability Of

Abstract The thermal stability of Au nanoparticles on ceria support of various morphology (nanocubes, nanooctahedra, and {111}-nanofacetted nanocubes) in oxidizing and reducing atmospheres was investigated by electron microscopy. A beneficial effect of the reconstruction of edges of ceria nanocubes into zigzagged {111}-nanofacetted structures on the inhibition of sintering of Au nanoparticles was shown. The influence of different morphology of Au particles on various ceria supports on the reducibility and catalytic activity in CO oxidation, and CO PROX of Au/ceria catalysts was also investigated and discussed. It was shown, that ceria nanocubes with flat {110} terminated edges are more suitable as a support for Au nanoparticles, used to catalyze CO oxidation, than zigzagged {111}- nanofacetted structures. Graphic Abstract

Catalytic CO Oxidation Using Bimetallic MxAu25–x Clusters: A Combined Experimental and Computational Study on Doping Effects

2016 ◽  
Vol 120 (19) ◽  
pp. 10261-10267 ◽  
Author(s):  
Weili Li ◽  
Chao Liu ◽  
Hadi Abroshan ◽  
Qingjie Ge ◽  
Xiujuan Yang ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Computational Study ◽  
Catalytic Co Oxidation ◽  
Doping Effects

A computational study of CO oxidation on IrO2 (1 1 0) surface

2021 ◽  
Vol 539 ◽  
pp. 148244
Author(s):  
Chen-Hao Yeh ◽  
Bing-Cheng Ji ◽  
Santhanamoorthi Nachimuthu ◽  
Jyh-Chiang Jiang
Keyword(s):  
Co Oxidation ◽  
Computational Study

Formation of a Rhodium Surface Oxide Film in Rhn/CeO2(111) Relevant for Catalytic CO Oxidation: A Computational Study

2012 ◽  
Vol 116 (43) ◽  
pp. 22904-22915 ◽  
Author(s):  
Weiyu Song ◽  
Cristina Popa ◽  
Antonius P. J. Jansen ◽  
Emiel J. M. Hensen
Keyword(s):  
Oxide Film ◽  
Co Oxidation ◽  
Computational Study ◽  
Surface Oxide ◽  
Surface Oxide Film ◽  
Catalytic Co Oxidation
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