Abstract
In an electric field, the orientation and self-assembly mechanisms of carbon nanotubes (CNTs) suspended in an aqueous solution are studied by molecular dynamics simulations. It is shown that the combination effect of the confined interface and the electric field drives CNTs to orient along the field direction, and the self-assembly process is determined by the competition between the CNT–CNT and CNT–water interactions. These results not only enrich our knowledge of orientation and self-assembly of nonpolar nanoparticles, but also pave the way for using the electric field as a novel tool to achieve their self-assembly. In particular, the remarkable features, such as the reversibility and fast responsiveness of orientation and self-assembly process, make CNTs attractive for many advanced applications, e.g., in creating switchable functional materials.
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