A density functional theory study of water gas shift over pseudomorphic monolayer alloy catalysts: Comparison with NO oxidation

2010 ◽  
Vol 272 (1) ◽  
pp. 151-157 ◽  
Author(s):  
Jelena Jelic ◽  
Randall J. Meyer
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
No Oxidation ◽  
Water Gas Shift ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Water Gas ◽  
Alloy Catalysts

Reaction mechanism of water gas shift over Au n clusters: A density functional theory study

2017 ◽  
Vol 45 (12) ◽  
pp. 1473-1480 ◽  
Author(s):  
Xiao-feng ZHANG ◽  
Ji-long XUE ◽  
Yue MENG ◽  
Meng-dan QIAN ◽  
Sheng-jie XIA ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Reaction Mechanism ◽  
Density Functional ◽  
Water Gas Shift ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Water Gas
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