Interactions of Fe atom with single wall armchair SiC nanotubes: An ab initio study

Journal of Nanoparticle Research

Volumn 11, Issue 6, 2009, Pages 1405-1420

  Alam, Kazi M ^a   Ray, Asok K ^a  

^a UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

Electronic and geometric structures; Fe atom; Hybrid density functional theory; Interactions; Nanoscale modeling and simulation; SiC nanotube

Indexed keywords

ELECTRONIC AND GEOMETRIC STRUCTURES; FE ATOM; HYBRID DENSITY FUNCTIONAL THEORY; INTERACTIONS; NANOSCALE MODELING AND SIMULATION; SIC NANOTUBE;

ADSORPTION; ATOMS; BINDING ENERGY; BINDING SITES; COMPUTER SIMULATION; ENERGY GAP; MAGNETIC MOMENTS; NANOSTRUCTURED MATERIALS; NANOTUBES; NEGATIVE IONS; NUCLEAR ENERGY; POTENTIAL ENERGY; SILICON CARBIDE;

DENSITY FUNCTIONAL THEORY;

IRON; SILICON CARBON NANOTUBE; SINGLE WALLED NANOTUBE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; CHEMICAL BINDING; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENCAPSULATION; MAGNETISM; PRIORITY JOURNAL;

EID: 68149169695     PISSN: 13880764     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11051-008-9529-2     Document Type: Article

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