Structures and energetics of NH3 adsorption and decomposition at Nb(100) surface: A density functional study

Journal of Physical Chemistry

Volumn 100, Issue 23, 1996, Pages 9800-9806

  Cheng, Hansong ^a   Reiser, David B ^a   Mathias, Paul M ^a   Baumert, Kenneth ^a   Dean Jr , Sheldon W ^a  

^a AIR PRODUCTS AND CHEMICALS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; CALCULATIONS; DECOMPOSITION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; NITRIDING; SURFACE PHENOMENA;

CLUSTER SURFACE MODEL; DENSITY FUNCTIONAL CALCULATIONS; REACTION MECHANISMS;

AMMONIA;

EID: 0030572231     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952623i     Document Type: Article

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