Density functional studies of the adsorption and dissociation of CO 2 molecule on Fe(111) surface

Langmuir

Volumn 26, Issue 2, 2010, Pages 775-781

  Chen, Hui Lung ^a   Chen, Hsin Tsung ^b   Ho, Jia Jen ^c  

^a CHINESE CULTURE UNIVERSITY   (Taiwan)

^b NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^c NATIONAL TAIWAN NORMAL UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ACTIVATION; CATALYTIC ACTIVITY; DENSITY-FUNCTIONAL STUDY; DISSOCIATION REACTIONS; DISSOCIATIVE ADSORPTION; GAIN INSIGHT; RRKM THEORY; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY;

ADSORPTION; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLECULES; RATE CONSTANTS;

CARBON MONOXIDE;

EID: 74249090219     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la9021646     Document Type: Article

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