Hydrogen physisorption on stone-wales defectembedded single-walled carbon nanotubes

Fullerenes Nanotubes and Carbon Nanostructures

Volumn 17, Issue 3, 2009, Pages 324-335

  Okati, Afsaneh ^a   Zolfaghari, Alireza ^b   Hashemi, Fariba Sadat ^a   Anousheh, Nasim ^a   Jooya, Hossein Zolfaghari ^b  

^a ALZAHRA UNIVERSITY   (Iran)

^b CHEMISTRY AND CHEMICAL ENGINEERING RESEARCH CENTER OF IRAN   (Iran)

Author keywords

Hydrogen physisorption; Molecular dynamics simulations; Singlewalled carbon nanotube; Stone wales defect

Indexed keywords

ADSORPTION ENERGIES; BOND ORDERS; CARBON ATOMS; EMPIRICAL FORCE; EQUILIBRIUM MOLECULAR DYNAMICS; HYDROGEN PHYSISORPTION; INTERATOMIC INTERACTIONS; INTERMOLECULAR FORCES; MODERATE PRESSURES; MOLECULAR DYNAMICS SIMULATIONS; NANOTUBE WALLS; NON-BONDING INTERACTIONS; STONE-WALES DEFECT; STONE-WALES DEFECTS; TERSOFF POTENTIAL; VAN DER WAALS INTERACTIONS;

CHEMICAL BONDS; DEFECTS; DYNAMICS; HYDROGEN; MOLECULAR DYNAMICS; PHYSISORPTION; SINGLE-WALLED CARBON NANOTUBES (SWCN); VAN DER WAALS FORCES;

CARBON NANOTUBES;

EID: 67650915290     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/15363830902776599     Document Type: Article

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