Computational investigation on adsorption and dissociation of the NH 3 molecule on the Fe(111) surface

Journal of Physical Chemistry C

Volumn 115, Issue 2, 2011, Pages 521-528

  Lin, Ren Jie ^a   Li, Feng Yi ^a   Chen, Hui Lung ^b  

^a NATIONAL CHUNG HSING UNIVERSITY   (Taiwan)

^b CHINESE CULTURE UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SITE; CATALYTIC ACTIVITY; COMPUTATIONAL INVESTIGATION; DISSOCIATION REACTIONS; GAIN INSIGHT; H-BONDS; INTERACTION ENERGIES; N-H BOND ACTIVATION; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY;

ADSORPTION; CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; DISSOCIATION;

CHEMICAL BONDS;

EID: 78651463173     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1089883     Document Type: Article

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