Theoretical study on adsorption and dissociation of NO2 molecule on Fe(111) surface

Langmuir

Volumn 26, Issue 10, 2010, Pages 7157-7164

  Chen, Hui Lung ^a   Wu, Shiuan Yau ^b   Chen, Hsin Tsung ^c   Chang, Jee Gong ^c   Ju, Shin Pon ^d   Tsai, Chiitang ^a   Hsu, Ling Chieh ^b  

^a CHINESE CULTURE UNIVERSITY   (Taiwan)

^b NATIONAL TAIWAN NORMAL UNIVERSITY   (Taiwan)

^c NATIONAL CENTER FOR HIGH PERFORMANCE COMPUTING   (Taiwan)

^d NATIONAL SUN YAT SEN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ADSORPTION ENERGIES; BOND ACTIVATION; CATALYTIC ACTIVITY; DEOXYGENATIONS; OXYGEN BONDS; PERIODIC DENSITY; RRKM THEORY; STABLE STRUCTURES; THEORETICAL STUDY;

ADSORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; OXYGEN;

RATE CONSTANTS;

IRON; NITROGEN DIOXIDE;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; SURFACE PROPERTY;

ADSORPTION; COMPUTER SIMULATION; IRON; MODELS, CHEMICAL; MODELS, MOLECULAR; NITROGEN DIOXIDE; SURFACE PROPERTIES;

EID: 77952333095     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la904233b     Document Type: Article

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