Oxidative Dehydrogenation of Ethane over V2O5(001):  A Periodic Density Functional Theory Study

2008 ◽  
Vol 112 (10) ◽  
pp. 3719-3725 ◽  
Author(s):  
Guo-Liang Dai ◽  
Zhi-Pan Liu ◽  
Wen-Ning Wang ◽  
Jing Lu ◽  
Kang-Nian Fan
Keyword(s):  
Density Functional Theory ◽  
Oxidative Dehydrogenation ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Oxidative Dehydrogenation Of Ethane

scholarly journals Understanding oxidative dehydrogenation of ethane on Co3O4 nanorods from density functional theory

2016 ◽  
Vol 6 (18) ◽  
pp. 6861-6869 ◽  
Author(s):  
Victor Fung ◽  
Franklin (Feng) Tao ◽  
De-en Jiang
Keyword(s):  
Density Functional Theory ◽  
Oxidative Dehydrogenation ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Rate Determining Step ◽  
Oxidative Dehydrogenation Of Ethane ◽  
Co3o4 Nanorods

Density functional theory calculations reveal the complete pathways of oxidative dehydrogenation of ethane to form ethene on the Co3O4(111) surface and the rate-determining step.

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