A computational study of the influence of the ceria surface termination on the mechanism of CO oxidation of isolated Rh atoms

2013 ◽  
Vol 162 ◽  
pp. 281 ◽  
Author(s):  
Weiyu Song ◽  
Antonius P. J. Jansen ◽  
Emiel J. M. Hensen
Keyword(s):  
Co Oxidation ◽  
Computational Study ◽  
Surface Termination

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.

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

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 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

Design of Efficient Catalysts for CO Oxidation on Titanium Carbide-Supported Platinum via Computational Study

2018 ◽  
Vol 122 (45) ◽  
pp. 25974-25982 ◽  
Author(s):  
Shiyan Wang ◽  
Zongxian Yang ◽  
Xingli Chu ◽  
Weichao Wang
Keyword(s):  
Titanium Carbide ◽  
Co Oxidation ◽  
Computational Study ◽  
Supported Platinum

scholarly journals Unraveling Catalytic Mechanisms for CO Oxidation on Boron-Doped Fullerene: A Computational Study

ACS Omega ◽  
2020 ◽  
Vol 5 (44) ◽  
pp. 28870-28876
Author(s):  
Kai-Yang Chen ◽  
Shiuan-Yau Wu ◽  
Hsin-Tsung Chen
Keyword(s):  
Co Oxidation ◽  
Computational Study ◽  
Boron Doped ◽  
Catalytic Mechanisms
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