First-principles investigation of adsorption and dissociation of hydrogen on Mg2Si surfaces

Journal of Physical Chemistry C

Volumn 111, Issue 18, 2007, Pages 6910-6916

  Dai, Bing ^a   Sholl, David S ^b,c   Johnson, J Karl ^a,c  

^a University of Pittsburgh   (United States)

^b CARNEGIE MELLON UNIVERSITY   (United States)

^c NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN DISSOCIATION; LOW-INDEX SURFACES; OXIDE SURFACE;

ADSORPTION; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ENERGY BARRIERS; HYDROGEN; HYDROGENATION; INTERFACIAL ENERGY; MAGNESIUM COMPOUNDS;

SURFACE REACTIONS;

EID: 34249339758     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp070469h     Document Type: Article

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