Mechanism of γ-Al2O3 Support in CO2 Reforming of CH4—A Density Functional Theory Study

2010 ◽  
Vol 115 (1) ◽  
pp. 225-233 ◽  
Author(s):  
Dong-Bo Cao ◽  
Yong-Wang Li ◽  
Jianguo Wang ◽  
Haijun Jiao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Co2 Reforming ◽  
Functional Theory ◽  
Co2 Reforming Of Ch4 ◽  
Al2o3 Support

Correlating the surface structure and hydration of a γ-Al2O3 support with the Run (n = 1–4) cluster adsorption behavior: a density functional theory study

RSC Advances ◽  
2016 ◽  
Vol 6 (46) ◽  
pp. 40459-40473 ◽  
Author(s):  
J. Yang ◽  
H. Wang ◽  
X. Zhao ◽  
Y. L. Li ◽  
W. L. Fan
Keyword(s):  
Density Functional Theory ◽  
Surface Structure ◽  
Density Functional ◽  
Adsorption Behavior ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption Performance ◽  
Al2o3 Support ◽  
Effect Of Surface

Theory configurations consisting of Run (1–4) clusters on a γ-Al2O3 support are constructed to illustrate the effect of surface structure and hydration on adsorption performance.

Kinetic aspect of CO2 reforming of CH4 on Ni(111): A density functional theory calculation

2007 ◽  
Vol 601 (5) ◽  
pp. 1271-1284 ◽  
Author(s):  
Sheng-Guang Wang ◽  
Xiao-Yuan Liao ◽  
Jia Hu ◽  
Dong-Bo Cao ◽  
Yong-Wang Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Co2 Reforming ◽  
Functional Theory ◽  
Co2 Reforming Of Ch4 ◽  
Kinetic Aspect ◽  
Theory Calculation
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