American Chemical Society
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Synthesis of Carbon Nanotubes by Rolling up Patterned Graphene Nanoribbons Using Selective Atomic Adsorption

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journal contribution
posted on 2020-04-03, 15:59 authored by Decai Yu, Feng Liu
We demonstrate a new method (U.S. Patent Appl., serial no. 60/908039) for synthesizing carbon nanotubes (CNTs), using first-principles and classical molecular dynamics simulations. The single-walled nanotubes (SWNTs) are formed by folding graphene nanoribbons patterned on graphite films through adsorption of atoms of varying coverage, which introduces an external stress to drive the folding process. The diameter and chirality of SWNTs can be a priori controlled by patterning graphene nanoribbons with predefined width and direction so that the postsynthesis sorting process is eliminated. Our method allows potentially mass production of identical tubes and easy integration into device structures on a substrate.