All-electron DFT modeling of SWCNT growth on iron catalysts from carbon monoxide feedstock

Journal of Nanoscience and Nanotechnology

Volumn 6, Issue 5, 2006, Pages 1281-1289

  Gutsev, G L ^a   Mochena, M D ^a   Bauschlicher Jr , C W ^b  

^a FLORIDA A AND M UNIVERSITY   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

Boudouard Reaction; Carbon Dimers; Carbon Trimers; CO Disproportionation; Density Functional Theory; Iron Catalyst

Indexed keywords

BOUDOUARD REACTIONS; CARBON DIMERS; CARBON TRIMERS; CO DISPROPORTIONATION; DENSITY FUNCTIONAL THEORY; IRON CATALYSTS;

APPROXIMATION THEORY; CARBON MONOXIDE; CATALYSTS; ELECTRONIC STRUCTURE; GRADIENT METHODS; GROWTH (MATERIALS); PROBABILITY DENSITY FUNCTION;

CARBON NANOTUBES;

CARBON MONOXIDE; CARBON NANOTUBE; IRON;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CRYSTALLIZATION; ELECTRON; KINETICS; METHODOLOGY; PARTICLE SIZE; QUANTUM THEORY; ULTRASTRUCTURE;

CARBON MONOXIDE; CATALYSIS; COMPUTER SIMULATION; CRYSTALLIZATION; ELECTRONS; IRON; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; NANOTUBES, CARBON; PARTICLE SIZE; QUANTUM THEORY;

EID: 33746404366     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2006.175     Document Type: Conference Paper

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