Computational studies of small carbon and iron-carbon systems relevant to carbon nanotube growth

Journal of Nanoscience and Nanotechnology

Volumn 8, Issue 11, 2008, Pages 6170-6177

  Duan, Haiming ^a,b   Rosen, Arne ^a   Harutyunyan, Avetik ^c   Curtarolo, Stefano ^d   Bolton, Kim ^a,e  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b XINJIANG UNIVERSITY   (China)

^c Honda R&D Americas Inc   (United States)

^d Duke University   (United States)

^e UNIVERSITY OF BORÅS   (Sweden)

Author keywords

Carbon nanotubes; Computational studies; Growth

Indexed keywords

ANALYTIC MODELS; BRENNER POTENTIALS; CARBON NANOTUBE GROWTHS; CARBON SPECIES; CARBON SYSTEMS; COMPUTATIONAL STUDIES; COMPUTER RESOURCES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIRECT DYNAMICS METHODS; GROWTH; INDIVIDUAL ATOMS; METAL PARTICLES; METAL SURFACES; MOLECULAR DYNAMICS SIMULATIONS; RELATIVE ENERGIES; SEMIEMPIRICAL MODELS; WALLED NANOTUBES;

DENSITY FUNCTIONAL THEORY; DYNAMICS; GROWTH (MATERIALS); MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOTUBES; OLIGOMERS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

CARBON NANOTUBES;

CARBON; CARBON NANOTUBE; IRON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; MACROMOLECULE; MATERIALS TESTING; METHODOLOGY; NANOTECHNOLOGY; PARTICLE SIZE; SURFACE PROPERTY; ULTRASTRUCTURE;

CARBON; COMPUTER SIMULATION; CRYSTALLIZATION; IRON; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NANOTECHNOLOGY; NANOTUBES, CARBON; PARTICLE SIZE; SURFACE PROPERTIES;

EID: 58149263477     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2008.SW12     Document Type: Article

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