An Evaluation of Density Functional Theory for CO Adsorption on Pt(111)

2013 ◽  
pp. 195-210
Author(s):  
Yu-Wei Huang ◽  
Ren-Shiou Ke ◽  
Wei-Chang Hao ◽  
Shyi-Long Lee
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory

CO adsorption on magnetic Co(0001) surface: A study of density functional theory

2008 ◽  
Vol 147 (3-4) ◽  
pp. 152-156 ◽  
Author(s):  
Shu-Hong Ma ◽  
Xiao-Tao Zu ◽  
Zhao-Yong Jiao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory

Mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface

2017 ◽  
Vol 19 (3) ◽  
pp. 2186-2192 ◽  
Author(s):  
Xinxin Tian ◽  
Tao Wang ◽  
Haijun Jiao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory ◽  
Adsorption And Dissociation

The mechanism of coverage dependent CO adsorption and dissociation on the Mo(100) surface was investigated using periodic density functional theory.

scholarly journals Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle

2010 ◽  
Vol 81 (4) ◽  
Author(s):  
P. Lazić ◽  
M. Alaei ◽  
N. Atodiresei ◽  
V. Caciuc ◽  
R. Brako ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory ◽  
Nonlocal Correlation

Insights into SO2 and H2O co-adsorption on Cu (100) surface with calculations of density functional theory

2015 ◽  
Vol 25 (12) ◽  
pp. 4102-4109 ◽  
Author(s):  
Xin WEI ◽  
Chao-fang DONG ◽  
Zhang-hua CHEN ◽  
Jian-ye HUANG ◽  
Kui XIAO ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Co Adsorption ◽  
Functional Theory
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