Interaction of alkanethiols with single-walled carbon nanotubes: First-principles calculations

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 41, Issue 9, 2009, Pages 1696-1700

  Ganji, M D ^a   Afsari, A ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Adsorption; Alkanethiols; Defects; Density functional theory; SWCNTs

Indexed keywords

ADSORPTION ENERGIES; ALKANETHIOL MOLECULES; ALKANETHIOLS; DEFECT SITES; DEFECT-FREE; DEFECTIVE TUBES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HEXAGON RINGS; NANOTUBE SURFACE; OUTER SURFACE; SWCNTS; VARIOUS CONFIGURATION;

ADSORPTION; BINDING ENERGY; CARBON NANOTUBES; DEFECT DENSITY; DEFECTS; DENSITY FUNCTIONAL THEORY; SOLID STATE PHYSICS;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 68349133609     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2009.06.002     Document Type: Article

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