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Configuration transition between graphene and nanoscroll using kinetic energy injecting method

journal contribution
posted on 2024-11-02, 09:45 authored by Jiao Shi, Hang Yin, Jingzhou Yu, Lingnan Liu, Kun Cai
By placing a graphene nanoribbon (GNR) near a carbon nanotube (CNT) it is possible to obtain a carbon nanoscroll (CNS) from the GNR winding on the CNT. The original two-dimensional material, then, becomes a one-dimensional material. To shift the two types of material from the same nanocomponents, external energy ought to be injected into the CNS. Without an injecting charge or putting the system at a high temperature, rotational kinetic energy can also lead to the same result. In the present study the unwinding features of a GNR from a rotary CNT are investigated, with consideration of such essentials as the chirality of the CNT and GNR, sizes of the GNR, temperature, and defects on the CNT. The driving power of the CNT for unwinding the GNR depends on the interaction between the two components. Some remarkable conclusions are drawn which are helpful in potential applications of the geometry shifting of the CNS.

History

Journal

Computational Materials Science

Volume

125

Start page

146

End page

153

Total pages

8

Publisher

Elsevier BV

Place published

Netherlands

Language

English

Copyright

© 2016 Elsevier B.V. All rights reserved.

Former Identifier

2006090351

Esploro creation date

2020-06-22

Fedora creation date

2019-04-30

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