First-principles study of molecular hydrogen adsorption and dissociation on AlnCr (n = 1-13) clusters

Journal of Physical Chemistry A

Volumn 117, Issue 16, 2013, Pages 3458-3466

  Guo, Ling ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CATALYTIC PROCESS; DISSOCIATION MECHANISMS; DISSOCIATION PATHWAYS; FIRST-PRINCIPLES STUDY; HYDROGEN ADSORPTION; HYDROGEN DISSOCIATION; MOLECULAR HYDROGEN;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; HYDROGEN; HYDROGEN STORAGE;

ALUMINUM;

EID: 84876837367     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp310833y     Document Type: Article

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