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Fluorination of Single-Wall Carbon Nanotubes: Toward "Diamond Nanoribbons

Author(s)
Erohin, Sergey V.Sorokin, Pavel B.Ruoff, Rodney S.
Issued Date
2024-01
DOI
10.1021/acs.jpcc.3c06614
URI
https://scholarworks.unist.ac.kr/handle/201301/82657
Citation
JOURNAL OF PHYSICAL CHEMISTRY C, v.128, no.1, pp.549 - 555
Abstract
We report density functional theory calculations that show that adsorption of fluorine on the outer surface of several types of single-walled carbon nanotubes leads to their collapse and to C-C bonding in the neighboring walls, yielding a sp(3)-bonded "diamond-like nanoribbon". The calculated ribbons have weak dependence of the band gap on the width (except for special cases of ribbons containing 8-member ring defects in the structure) as well as a mechanical stiffness exceeding that of bulk diamond but comparable with graphene and carbon nanotubes.
Publisher
AMER CHEMICAL SOC
ISSN
1932-7447
Keyword
GRAPHENE

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