Van der Waals energy surface of a carbon nanotube sheet

Motahari, S ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1016/j.ssc.2011.10.035
  3. Abstract:
  4. The van der Walls interaction between a carbon nanotube sheet (CNTS) and a rare gas atom, is studied using both atomistic and continuum approaches. We present analytical expressions for the van der Waals energy of continuous nanotubes interacting with a rare gas atom. It is found that the continuum approach does not properly treat the effect of atomistic configurations on the energy surfaces. The energy barriers are small as compared to the thermal energy, which implies the free motion above the CNTS in heights about one nanometer. In contrast to the energy surface of a graphene sheet, the honeycomb lattice structure in the energy surface of a CNTS is imperceivable. Defects alter the energy surface which therefore influence the gas adsorption mechanism
  5. Keywords:
  6. C. Atomistic model ; C. Continuum model ; D. Van der waals energy surface ; A. Carbon nanotube sheet ; Adsorption mechanism ; Analytical expressions ; Atomistic models ; Continuum model ; Energy surface ; Free motion ; Graphene sheets ; Honeycomb lattices ; Rare gas atoms ; Van der Waals energies ; Van der Walls interactions ; Carbon nanotubes ; Continuum mechanics ; Gas adsorption ; Graphene ; Honeycomb structures ; Inert gases ; Surface defects ; Van der Waals forces ; Surface structure
  7. Source: Solid State Communications ; Volume 152, Issue 3 , February , 2012 , Pages 225-230 ; 00381098 (ISSN)
  8. URL: http://www.sciencedirect.com/science/article/pii/S0038109811005898