A computational DFT study of CO oxidation on a Au nanorod supported on CeO2(110): on the role of the support termination

2013 ◽  
Vol 3 (11) ◽  
pp. 3020 ◽  
Author(s):  
Weiyu Song ◽  
Emiel J. M. Hensen
Keyword(s):  
Co Oxidation ◽  
Dft Study

On the Role of Diffusion in the Oxidation of Fe, Ni, Co and the Fe-Sn Alloy by Calcium and Sodium Sulfates

2006 ◽  
Vol 258-260 ◽  
pp. 63-67
Author(s):  
V.M. Chumarev ◽  
V.P. Maryevich ◽  
V.A. Shashmurin
Keyword(s):  
Co Oxidation ◽  
Chemical Reaction ◽  
Diffusion Processes ◽  
Transport Processes ◽  
Diffusion Transport ◽  
Sodium Sulfates ◽  
Product Forms ◽  
Kinetics Of ◽  
Dominant Part

Diffusion processes play a dominant part in the macro kinetics of Fe, Ni and Co oxidation by calcium and sodium sulfates. Here, the reaction product forms a compact covering which spatially divides the reagents on the surface in the same way as in the oxidation and sulfidization of metals by oxygen and sulfur. Therefore, it is possible to assume in advance that interaction of metals with calcium and sodium sulfates will be determined not by the actual chemical reaction properly but by the diffusion transport processes.

DFT study of CO oxidation on Cu2O–Au interfaces at Au–Cu alloy surfaces

RSC Advances ◽  
2015 ◽  
Vol 5 (2) ◽  
pp. 1587-1597 ◽  
Author(s):  
D. Liu ◽  
Y. F. Zhu ◽  
Q. Jiang
Keyword(s):  
Co Oxidation ◽  
Dft Study ◽  
Cu Alloy

CO oxidation on the Cu2O–Au interface at Au–Cu alloy surfaces.

scholarly journals The critical role of water at the gold-titania interface in catalytic CO oxidation

Science ◽  
2014 ◽  
Vol 345 (6204) ◽  
pp. 1599-1602 ◽  
Author(s):  
J. Saavedra ◽  
H. A. Doan ◽  
C. J. Pursell ◽  
L. C. Grabow ◽  
B. D. Chandler
Keyword(s):  
Co Oxidation ◽  
Critical Role ◽  
Catalytic Co Oxidation

scholarly journals Acetylene and Ethylene Adsorption on a β-Mo2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions

2017 ◽  
Vol 121 (36) ◽  
pp. 19786-19795 ◽  
Author(s):  
Carlos Jimenez-Orozco ◽  
Elizabeth Florez ◽  
Andres Moreno ◽  
Ping Liu ◽  
José A. Rodriguez
Keyword(s):  
Dft Study ◽  
Ethylene Adsorption ◽  
Hydrogenation Reactions ◽  
Periodic Dft

Theoretical study of catalytic oxidation of CO on free PdxO2+ (x = 4–6) clusters: size dependent comparison of combustion

RSC Advances ◽  
2015 ◽  
Vol 5 (53) ◽  
pp. 42329-42340 ◽  
Author(s):  
Chandan Sahu ◽  
Deepanwita Ghosh ◽  
Abhijit K. Das
Keyword(s):  
Co Oxidation ◽  
Catalytic Oxidation ◽  
Theoretical Study ◽  
Dft Study ◽  
Oxidation Of Co ◽  
Catalytic Co Oxidation ◽  
Size Dependent ◽  
Catalytic Oxidation Of Co

A DFT study has been adopted to explore the catalytic CO oxidation on a free PdxO2+ (x = 4–6) cluster.

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