Computation of interaction potential of adsorbates on zigzag SWCNTs application to functionalization and hydrogen storage

International Journal of Nanoscience

Volumn 10, Issue 3, 2011, Pages 391-396

  Lakshmi, I ^a   Silambarasan, D ^b   Surya, V J ^b   Rajarajeswari, M ^b   Iyakutti, K ^b   Mizuseki, H ^c   Kawazoe, Y ^c  

^a Jothi Nivas College for Women   (India)

^b MADURAI KAMARAJ UNIVERSITY   (India)

^c TOHOKU UNIVERSITY   (Japan)

Author keywords

Carbon nanotube; functionalization; hydrogen storage; interaction potential

Indexed keywords

COMPUTATION TIME; EQUILIBRIUM POSITIONS; FUNCTIONALIZATIONS; HYDROGEN STORAGE CAPACITIES; INITIAL GUESS; INTERACTION POTENTIAL; INTERACTION POTENTIALS; INTERMOLECULAR POTENTIALS; POTENTIAL MODEL; STORAGE CAPACITY;

ADSORBATES; COMPUTER SIMULATION; HYDROGEN; SINGLE-WALLED CARBON NANOTUBES (SWCN);

HYDROGEN STORAGE;

EID: 79957624351     PISSN: 0219581X     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219581X11008125     Document Type: Article

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