Influence of Structural Imperfections and Doping on the Mechanical Properties of Single-Walled Carbon Nanotubes

Abstract

In This study, finite element models of Single-Walled Carbon Nanotube (SWCNT) in their perfect form were generated. Then, after deriving mechanical properties in agreement with existing literature values, different levels of perturbation and missing atoms in the structure were applied. In another approach, some of the Carbon atoms were replaced with Silicon to produce a Si-doped SWCNT. Mechanical properties of the three kinds of imperfect structures of SWCNT were then compared with the perfect structure results, for both fundamental Carbon Nanotubes, namely Zigzag and Armchair.The results show that with any kind of imperfection, the stiffness of the structure decreases compared to the perfect SWCNT.