2D fullerene-based carbon nanostructures have been recently proposed
theoretically. They are conceptually formed by the arrangement of
fragments resulting from the unzipping of C-60 molecules. Depending on
the details of the assembly, these layer materials exhibit either
semiconducting or metallic behavior. Here, we investigate the structural
and electronic properties of achiral nanotubes by means of
first-principles calculations. We show that this new class of nanotubes
are not only energetically stable, but also share many properties
similar to those of their 2D counterparts. In addition, the
semiconducting cases can exhibit either direct or indirect band gaps. We
further show that the electronic properties can be modulated by the
presence of a transverse electric field due to an electrostatic
potential symmetry breaking. We find that the electric field promotes a
radial deformation that grows linearly with the strength of the electric
field. In addition, the semiconducting tubes can undergo a
semiconducting-metallic transition for a sufficiently large electric
field. The study shows that these structures have potential for
applications in the area of new nanodevices owing to their tunable band
gap. (C) 2019 Elsevier Ltd. All rights reserved.
%0 Journal Article
%1 WOS:000468156500069
%A Silva, Paloma Vieira
%A Filho, Antonio Gomes Souza
%A Meunier, Vincent
%A Girao, Eduardo Costa
%C THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
%D 2019
%I PERGAMON-ELSEVIER SCIENCE LTD
%J CARBON
%K imported
%P 616-627
%R 10.1016/j.carbon.2019.02.069
%T Structural and electronic properties of nanotubes constructed from
fragmented fullerenes
%V 147
%X 2D fullerene-based carbon nanostructures have been recently proposed
theoretically. They are conceptually formed by the arrangement of
fragments resulting from the unzipping of C-60 molecules. Depending on
the details of the assembly, these layer materials exhibit either
semiconducting or metallic behavior. Here, we investigate the structural
and electronic properties of achiral nanotubes by means of
first-principles calculations. We show that this new class of nanotubes
are not only energetically stable, but also share many properties
similar to those of their 2D counterparts. In addition, the
semiconducting cases can exhibit either direct or indirect band gaps. We
further show that the electronic properties can be modulated by the
presence of a transverse electric field due to an electrostatic
potential symmetry breaking. We find that the electric field promotes a
radial deformation that grows linearly with the strength of the electric
field. In addition, the semiconducting tubes can undergo a
semiconducting-metallic transition for a sufficiently large electric
field. The study shows that these structures have potential for
applications in the area of new nanodevices owing to their tunable band
gap. (C) 2019 Elsevier Ltd. All rights reserved.
@article{WOS:000468156500069,
abstract = {2D fullerene-based carbon nanostructures have been recently proposed
theoretically. They are conceptually formed by the arrangement of
fragments resulting from the unzipping of C-60 molecules. Depending on
the details of the assembly, these layer materials exhibit either
semiconducting or metallic behavior. Here, we investigate the structural
and electronic properties of achiral nanotubes by means of
first-principles calculations. We show that this new class of nanotubes
are not only energetically stable, but also share many properties
similar to those of their 2D counterparts. In addition, the
semiconducting cases can exhibit either direct or indirect band gaps. We
further show that the electronic properties can be modulated by the
presence of a transverse electric field due to an electrostatic
potential symmetry breaking. We find that the electric field promotes a
radial deformation that grows linearly with the strength of the electric
field. In addition, the semiconducting tubes can undergo a
semiconducting-metallic transition for a sufficiently large electric
field. The study shows that these structures have potential for
applications in the area of new nanodevices owing to their tunable band
gap. (C) 2019 Elsevier Ltd. All rights reserved.},
added-at = {2022-05-23T20:00:14.000+0200},
address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND},
author = {Silva, Paloma Vieira and Filho, Antonio Gomes Souza and Meunier, Vincent and Girao, Eduardo Costa},
biburl = {https://www.bibsonomy.org/bibtex/2f30be49773ee896b476b736dcea7cddd/ppgfis_ufc_br},
doi = {10.1016/j.carbon.2019.02.069},
interhash = {05cd16d6acf0288c86d68cfd09f8a76e},
intrahash = {f30be49773ee896b476b736dcea7cddd},
issn = {0008-6223},
journal = {CARBON},
keywords = {imported},
pages = {616-627},
publisher = {PERGAMON-ELSEVIER SCIENCE LTD},
pubstate = {published},
timestamp = {2022-05-23T20:00:14.000+0200},
title = {Structural and electronic properties of nanotubes constructed from
fragmented fullerenes},
tppubtype = {article},
volume = 147,
year = 2019
}