Similarities and differences in O 2 chemisorption on graphene nanoribbon vs. carbon nanotube

Carbon

Volumn 50, Issue 3, 2012, Pages 1152-1162

  Silva Tapia, Alejandro B ^a   García Carmona, Ximena ^a   Radovic, Ljubisa R ^a,b  

^a UNIVERSITY OF CONCEPCIÓN   (Chile)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; BASIS SETS; CARBENES; CARBYNES; CHARGE DENSITY DISTRIBUTIONS; DISSOCIATIVE ADSORPTION; EDGE SITES; GAUSSIAN03; GRAPHENE NANO-RIBBON; INTRINSIC ACTIVITIES; PYRAMIDALIZATION; THERMOCHEMICAL PROPERTIES; TWO-STEP MECHANISMS; ZIGZAG EDGES;

ACTIVATION ENERGY; ADSORPTION; CARBON NANOTUBES; CHEMISORPTION; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; MOLECULAR OXYGEN;

GRAPHENE;

EID: 84155169088     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2011.10.028     Document Type: Article

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