CO and NO Adsorption and Dissociation at the Β-Mo2C(0001) Surface: A Density Functional Theory Study

2010 ◽  
Vol 114 (32) ◽  
pp. 13630-13641 ◽  
Author(s):  
Xue-Rong Shi ◽  
Jianguo Wang ◽  
Klaus Hermann
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
No Adsorption ◽  
Functional Theory ◽  
Adsorption And Dissociation

scholarly journals Adsorption properties of NO molecules on the hexagonal LaCoO3 (0 0 1) surface: a density functional theory study

RSC Advances ◽  
2017 ◽  
Vol 7 (55) ◽  
pp. 34714-34721 ◽  
Author(s):  
Zhijie Liu ◽  
Yanxin Wang ◽  
Hongwei Gao
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Adsorption Properties ◽  
Density Functional Theory Study ◽  
No Adsorption ◽  
Functional Theory ◽  
Adsorption Sites

Six types of adsorption configurations, together with two different adsorption sites for NO adsorption on LaCoO3, were investigated via density functional theory.

CH2I2 adsorption and dissociation on Ag(111) surface using density functional theory study

2008 ◽  
Vol 461 (1-3) ◽  
pp. 47-52 ◽  
Author(s):  
Bo-Tao Teng ◽  
Wei-Xin Huang ◽  
Feng-Min Wu ◽  
Xiao-Dong Wen ◽  
Shi-Yu Jiang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption And Dissociation

Adsorption and Dissociation of the O2 on W(111) Surface: A Density Functional Theory Study

2010 ◽  
Vol 10 (11) ◽  
pp. 7196-7199 ◽  
Author(s):  
Meng Hsiung Weng ◽  
Jin Yuan Hsieh ◽  
Shin Pon Ju ◽  
Jee Gong Chang ◽  
Hsin Tsung Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption And Dissociation
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