DFT Study on CO Oxidation Catalyzed by PtmAun (m + n = 4) Clusters: Catalytic Mechanism, Active Component, and the Configuration of Ideal Catalysts

2010 ◽  
Vol 114 (33) ◽  
pp. 14076-14082 ◽  
Author(s):  
Fang Wang ◽  
Dongju Zhang ◽  
Yi Ding
Keyword(s):  
Co Oxidation ◽  
Active Component ◽  
Catalytic Mechanism ◽  
Dft Study

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.

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.

Catalytic mechanism and pathways of 1, 2-dichloropropane oxidation over LaMnO3 perovskite: An experimental and DFT study

2021 ◽  
Vol 402 ◽  
pp. 123473 ◽  
Author(s):  
Chuanhui Zhang ◽  
Haijie Cao ◽  
Chao Wang ◽  
Maoxia He ◽  
Wangcheng Zhan ◽  
...  
Keyword(s):  
Catalytic Mechanism ◽  
Dft Study

A DFT Study of CO Oxidation at the Pd–CeO2(110) Interface

2015 ◽  
Vol 119 (49) ◽  
pp. 27505-27511 ◽  
Author(s):  
Weiyu Song ◽  
Yaqiong Su ◽  
Emiel J. M. Hensen
Keyword(s):  
Co Oxidation ◽  
Dft Study

Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study

2014 ◽  
Vol 16 (24) ◽  
pp. 12488-12494 ◽  
Author(s):  
Zhansheng Lu ◽  
Dongwei Ma ◽  
Lin Yang ◽  
Xiaobing Wang ◽  
Guoliang Xu ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Lattice Oxygen ◽  
Dft Study ◽  
Reduced Surface

The process of CO oxidation by lattice oxygen on the SnO2(110) surface and the recovery of the reduced surface by O2 is presented.

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