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Recently experiments showed that nodal structural defects are readily formedin the synthesis of single-walled carbon nanotubes (SWNTs) and consequently,SWNTs are likely to deviate from well-defined seamless tubular structures.Here, using graphene-helix growth model, we describe structural details offeasible nodal defects in SWNTs and investigate how mechanical and electronicproperties of SWNTs would change in the presence of them using computationalmethods. Surprisingly atomistic simulations of SWNTs with nodal defects showexcellent agreement with previous structural, tensile, and ball-millingexperiments whose results cannot be explained using conventional models. Thetensile failure of SWNTs with nodal defects requires about four- or six-foldlower strength than pristine ones and these SWNTs are comparatively prone todamage under a lateral compressive biting. We reveal that electronic band-gapof SWNT(12,8) would be remarkably reduced in the presence of nodal defects.This study strongly indicates universality of nodal defects in SWNTs requestingnew theoretical framework in SWNT modelling for proper characteristicsprediction.

Characterization of Single-Walled Carbon Nanotubes with Nodal Structural Defects