Topologically Closed Macromolecules Made of Single Walled Carbon Nanotubes-'Super'-Fullerenes

Author(s)

Coluci, V. R. ^[1] ; dos Santos, R. P. B. ^[2] ; Galvao, D. S. ^[3]

Affiliation

^[1] Univ Estadual Campinas, Sch Technol, BR-13484332 Limeira, SP - Brazil

^[2] Univ Estadual Maringa, BR-87020900 Maringa, Parana - Brazil

^[3] Univ Estadual Campinas, Inst Phys, Dept Appl Phys, BR-13083970 Campinas, SP - Brazil

• Document type: Journal article
• Source: Journal of Nanoscience and Nanotechnology; v. 10, n. 7, p. 4378-4383, JUL 2010.
• Web of Science Citations: 5

Abstract

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 (similar to 1 g/cm(3)), and high surface area (congruent to 2500 m(2)/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. (AU)

• FAPESP's process: 07/03923-1 - Investigation of carbon nanotube networks using computational simulation
• Grantee: Vitor Rafael Coluci
• Support Opportunities: Research Grants - Young Investigators Grants