Atmospheric Oxidation Mechanism ofp-Xylene:  A Density Functional Theory Study

2006 ◽  
Vol 110 (24) ◽  
pp. 7728-7737 ◽  
Author(s):  
Jiwen Fan ◽  
Renyi Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Oxidation Mechanism ◽  
Atmospheric Oxidation ◽  
Density Functional Theory Study ◽  
Functional Theory

Understanding the carbon-monoxide oxidation mechanism on ultrathin palladium nanowires: a density functional theory study

Nanoscale ◽  
2016 ◽  
Vol 8 (4) ◽  
pp. 2041-2045 ◽  
Author(s):  
Po-Yu Yang ◽  
Shin-Pon Ju ◽  
Zhu-Min Lai ◽  
Jenn-Sen Lin ◽  
Jin-Yuan Hsieh
Keyword(s):  
Density Functional Theory ◽  
Carbon Monoxide ◽  
Co Oxidation ◽  
Density Functional ◽  
Dft Calculation ◽  
Oxidation Mechanism ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Palladium Nanowires ◽  
Co Oxidation Mechanism

The CO oxidation mechanism catalyzed by ultrathin helical palladium nanowires (PdNW) was investigated by density functional theory (DFT) calculation.

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