Topologically closed macromolecules made of single walled carbon nanotubes-'super'-fullerenes.
We propose and theoretically investigated a new class of topologically closed macromolecules built using single walled carbon nanotubes. These macromolecules are based on the fullerene architecture. Classical molecular dynamics simulations were used to predict their stability, thermal, vibrational, and mechanical properties. These macromolecules, named 'super'-fullerenes, present high porosity, low density (approximately 1 g/cm3), and high surface area (approximately equal 2500 m2/g). Our results predict gas phase specific heat of about 0.4 Jg(-1)K(-1) at room temperature and high flexibility under compressive strains. These properties make these hypothetical macromolecules good candidates for gas storage material and biomolecular sieves.
School of Technology, University of Campinas-UNICAMP 13484-332, Limeira, SP, Brazil.
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Coluci
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dos Santos
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Galvão
D037741:Fullerenes / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D037742:Nanotubes, Carbon
D037741:Fullerenes; D037742:Nanotubes, Carbon