Studies on structural defects in carbon nanotubes

Abstract

Structural defects in carbon nanotubes (CNTs) have been paid much attention, because they influence the properties of the CNTs to some extent. Among various defects in CNTs, both single vacancies and Stone–Wales (SW) defects are the simple and common ones. In this paper, we review the progress of research in these two kinds of defects in CNTs. For single vacancies, we first address their different structural features in both zigzag and armchair CNTs, and their stabilities in CNTs with different sizes and different symmetries systematically. The presence of the single vacancies in CNTs not only influences the electronic structures of the systems, but also affects the vibrational properties of the tubes. Nevertheless, being active chemically, the single vacancies in the tubes prefer to interact with adsorbates nearby, of which the interaction of the defects with hydrogen atom, hydrogen molecule and some small hydrocarbon radicals (–CH, –CH2 and –CH3) are discussed. The former is associated with H storage and the latter is of merit to improve the local structure of the defect in a CNT. For the Stone–Wales defect, we mainly focus on its stability in various CNTs. The influence of the SW defects on the conductance of CNTs and the identification of such a defect in CNT is described in brief.

Keywords

nanotubes / defects / adsorption / theoretical calculation

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