H S Domingos 2004 J. Phys.: Condens. Matter 16 9083 doi:10.1088/0953-8984/16/49/023
H S Domingos
Show affiliationsWe have used density functional pseudopotential calculations and molecular dynamics to predict new carbon structures of high stability. The new phases are strongly bound and involve the smallest radius nanotubes. It was found that it is possible to covalently link smallest/larger, smallest/smallest radius nanotubes together as well as larger nanotube/C20 1D-chains, resulting in extremely large interlinkage and consequent increase in the resistance to slippage. This procedure may enable the construction of extremely stiff nanotube bundles capable of making full use of the tensile properties of individual nanotubes, while enhancing the crystallinity of the material. Some of the carbon allotropes studied are the lowest energy non-diamond sp3 hybridized structures ever found.
61.46.-w Structure of nanoscale materials
62.20.F- Deformation and plasticity
68.65.-k Low-dimensional, mesoscopic, and nanoscale systems: structure and nonelectronic properties
Surfaces, interfaces and thin films
Issue 49 (15 December 2004)
Received 24 May 2004, in final form 14 October 2004
Published 26 November 2004
H S Domingos 2004 J. Phys.: Condens. Matter 16 9083
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