Electronic properties of giant fullerenes and complex graphitic nanostructures with novel morphologies

Florentino López-Urías; Mauricio Terrones; Humberto Terrones

doi:10.1016/j.cplett.2003.09.152

Electronic properties of giant fullerenes and complex graphitic nanostructures with novel morphologies

Florentino López-Urías, Mauricio Terrones, Humberto Terrones

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Using a Hückel approach we study the electronic properties of large graphitic nanostructures: giant quasi-spherical fullerenes, chiral and non-chiral icosahedral giant fullerenes, holey balls, finite and toroidal carbon nanotubes. We found this model describes accurately the electronic characteristics of novel sp² carbon systems, requiring less computational effort when compared to multi-band tight-binding methods. We calculate the density of states (DOS) and the electronic charge distribution of these structures. Our calculations could lead to the development of novel electronic and field emission devices using complex sp²-like carbon architectures.

Original language	English (US)
Pages (from-to)	683-690
Number of pages	8
Journal	Chemical Physics Letters
Volume	381
Issue number	5-6
DOIs	https://doi.org/10.1016/j.cplett.2003.09.152
State	Published - Nov 21 2003

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2003.09.152

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title = "Electronic properties of giant fullerenes and complex graphitic nanostructures with novel morphologies",

abstract = "Using a H{\"u}ckel approach we study the electronic properties of large graphitic nanostructures: giant quasi-spherical fullerenes, chiral and non-chiral icosahedral giant fullerenes, holey balls, finite and toroidal carbon nanotubes. We found this model describes accurately the electronic characteristics of novel sp2 carbon systems, requiring less computational effort when compared to multi-band tight-binding methods. We calculate the density of states (DOS) and the electronic charge distribution of these structures. Our calculations could lead to the development of novel electronic and field emission devices using complex sp2-like carbon architectures.",

author = "Florentino L{\'o}pez-Ur{\'i}as and Mauricio Terrones and Humberto Terrones",

note = "Funding Information: We thank Dr. E. Mu{\~n}oz-Sandoval for fruitful and stimulating discussions. This work was done under the auspices of CONACyT (Mexico) through Grants G-25851-E, 36365-E, 37589-U, 39643-F, J36909-E and W-8001 (Millennium Initiative). The code we have generated is free and can be obtained from the authors ( http://www.materials.edu.mx/english/electronic.htm ). ",

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doi = "10.1016/j.cplett.2003.09.152",

language = "English (US)",

volume = "381",

pages = "683--690",

journal = "Chemical Physics Letters",

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T1 - Electronic properties of giant fullerenes and complex graphitic nanostructures with novel morphologies

AU - López-Urías, Florentino

AU - Terrones, Mauricio

AU - Terrones, Humberto

N1 - Funding Information: We thank Dr. E. Muñoz-Sandoval for fruitful and stimulating discussions. This work was done under the auspices of CONACyT (Mexico) through Grants G-25851-E, 36365-E, 37589-U, 39643-F, J36909-E and W-8001 (Millennium Initiative). The code we have generated is free and can be obtained from the authors ( http://www.materials.edu.mx/english/electronic.htm ).

PY - 2003/11/21

Y1 - 2003/11/21

N2 - Using a Hückel approach we study the electronic properties of large graphitic nanostructures: giant quasi-spherical fullerenes, chiral and non-chiral icosahedral giant fullerenes, holey balls, finite and toroidal carbon nanotubes. We found this model describes accurately the electronic characteristics of novel sp2 carbon systems, requiring less computational effort when compared to multi-band tight-binding methods. We calculate the density of states (DOS) and the electronic charge distribution of these structures. Our calculations could lead to the development of novel electronic and field emission devices using complex sp2-like carbon architectures.

AB - Using a Hückel approach we study the electronic properties of large graphitic nanostructures: giant quasi-spherical fullerenes, chiral and non-chiral icosahedral giant fullerenes, holey balls, finite and toroidal carbon nanotubes. We found this model describes accurately the electronic characteristics of novel sp2 carbon systems, requiring less computational effort when compared to multi-band tight-binding methods. We calculate the density of states (DOS) and the electronic charge distribution of these structures. Our calculations could lead to the development of novel electronic and field emission devices using complex sp2-like carbon architectures.

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DO - 10.1016/j.cplett.2003.09.152

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SN - 0009-2614

VL - 381

SP - 683

EP - 690

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Electronic properties of giant fullerenes and complex graphitic nanostructures with novel morphologies

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