Methane cracking on single-wall carbon nanotubes studied by semi-empirical tight binding simulations

Carbon

Volumn 50, Issue 2, 2012, Pages 411-420

  Bagolini, Luigi ^a   Gala, Fabrizio ^a   Zollo, Giuseppe ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ORBITAL; AXIAL COMPONENTS; CATALYTIC PROPERTIES; DISSOCIATION REACTIONS; ENTHALPY CHANGE; METHANE CRACKING; METHANE MOLECULES; SEMI-EMPIRICAL; SINGLE WALL CARBON NANOTUBES; TIGHT BINDING; TIGHT BINDING MOLECULAR DYNAMICS; TOTAL ENERGY CALCULATION;

BINDING ENERGY; CATALYTIC CRACKING; DISSOCIATION; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; METHANE; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; REACTION KINETICS; SORPTION;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 80055070507     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2011.08.054     Document Type: Article

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