Temperature dependence of iron-catalyzed continued single-walled carbon nanotube growth rates: Density functional tight-binding molecular dynamics simulations

Journal of Physical Chemistry C

Volumn 113, Issue 1, 2009, Pages 159-169

  Ohta, Yasuhito ^a   Okamoto, Yoshiko ^a   Irle, Stephan ^a,b   Morokuma, Keiji ^a  

^a KYOTO UNIVERSITY   (Japan)

^b NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

C ATOMS; CHEMICAL EVENTS; DENSITY FUNCTIONAL; DENSITY-FUNCTIONAL TIGHT-BINDING METHODS; GROWTH PROCESS; HIGH TEMPERATURES; INHIBITING FACTORS; IRON CLUSTERS; METAL CLUSTERS; METAL INTERFACES; MODEL SYSTEMS; POLYYNE; QUANTUM CHEMICAL MOLECULAR DYNAMICS SIMULATIONS; RING FORMATIONS; SINGLE-WALLED CARBONS; SWNT GROWTHS; TEMPERATURE DEPENDENCES; TIGHT-BINDING MOLECULAR DYNAMICS SIMULATIONS;

CARBON CLUSTERS; CARBON NANOTUBES; CHEMICAL REACTIONS; DYNAMICS; METALS; MOLECULAR DYNAMICS; TEMPERATURE DISTRIBUTION;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 61649105773     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp808493f     Document Type: Article

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