Density Functional Theory Study of CO Hydrogenation on a MoS2 Surface

2009 ◽  
Vol 113 (13) ◽  
pp. 5238-5243 ◽  
Author(s):  
Min Huang ◽  
Kyeongjae Cho
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Hydrogenation ◽  
Density Functional Theory Study ◽  
Functional Theory

Hydrocarbon chain growth and hydrogenation on V(100): a density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (7) ◽  
pp. 4909-4917
Author(s):  
Hui Wang ◽  
Jing-Yao Liu ◽  
Zhifang Chai ◽  
Dongqi Wang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Co Hydrogenation ◽  
Hydrocarbon Chain ◽  
Carbon Chain ◽  
Chain Propagation ◽  
Chain Growth ◽  
Density Functional Theory Study ◽  
Functional Theory

The activation of CO, hydrogenation of CHx (x = 0–4) and C2Hy (y = 0–5) species and carbon chain propagation on V(100) were studied by means of periodic density functional theory (DFT) calculations.

Sign in / Sign up

Export Citation Format

Share Document