Optical Band Gap Modification of Single-Walled Carbon Nanotubes by Encapsulated Fullerenes

On the base of the electron energy band structure of graphene obtained by the tight-binding method, the quantized wave vector equation along the circumferential director of the spiral single-walled carbon nanotubes was established through coordinate transformation and periodic boundary condition, and an analytical expression of the electron energy band was derived. MATLAB is used to calculate the energy band curve of spiral single-walled carbon nanotubes with different structural parameters. The characteristic of the energy band curves was analyzed and discussed. The results shows that single-walled carbon nanotubes (n, m) can be identified as metallic with no band gap nearly which satisfies n-m=3q(q is integer), otherwise, the nanotubes is semiconducting and there are band gaps between conduction band and valence band. And the band gap is inversely proportional to diameter approximately for semiconducting tubes.

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Band-Gap Opening in Metallic Single-Walled Carbon Nanotubes by Encapsulation of an Organic Salt

Angewandte Chemie International Edition ◽

10.1002/anie.201705258 ◽

2017 ◽

Vol 56 (40) ◽

pp. 12240-12244 ◽

Cited By ~ 8

Author(s):

Belén Nieto-Ortega ◽

Julia Villalva ◽

Mariano Vera-Hidalgo ◽

Luisa Ruiz-González ◽

Enrique Burzurí ◽

...

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

Single Walled Carbon Nanotubes ◽

Organic Salt ◽

Single Walled Carbon ◽

Gap Opening ◽

Walled Carbon Nanotubes

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A symmetry based investigation of the band gap of SWCNTs

Open Physics ◽

10.2478/s11534-008-0108-z ◽

2008 ◽

Vol 6 (4) ◽

Cited By ~ 2

Author(s):

Mehdi Pakkhesal ◽

Rahim Ghayour

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

Nearest Neighbors ◽

Single Walled Carbon Nanotubes ◽

Computational Effort ◽

Lower Number ◽

The Real ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

AbstractIn this paper we use symmetry of Single Walled Carbon Nanotubes (SWCNTs) to generate some types of virtual sub-bands that are lower in number than the real sub-bands obtained through conventional-TB. It is shown that the virtual sub-bands maintain the value of band gap. In obtaining the sub bands, the interactions of the nearest and the second and third-nearest neighbors are taken into account. As the consequence of lower number of sub-bands, a significant reduction in computational effort has occurred and made the approach useful.

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Spectroscopy of strongly localized excitons and band-gap states in semiconducting single-walled carbon nanotubes

Physical Review B ◽

10.1103/physrevb.83.081401 ◽

2011 ◽

Vol 83 (8) ◽

Cited By ~ 11

Author(s):

E. S. Comfort ◽

D. A. Jones ◽

A. Malapanis ◽

Z. R. Robinson ◽

M. T. Fishman ◽

...

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Localized Excitons ◽

Gap States ◽

Walled Carbon Nanotubes

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THE EFFECTS OF CO-DOPING OF B AND N ON THE ELECTRONIC TRANSPORT OF SINGLE-WALLED CARBON NANOTUBES

Modern Physics Letters B ◽

10.1142/s0217984911026218 ◽

2011 ◽

Vol 25 (14) ◽

pp. 1211-1218 ◽

Cited By ~ 1

Author(s):

JIANWEI WEI ◽

HUI ZENG ◽

LICHUN PU ◽

JUNWU LIANG ◽

HUIFANG HU ◽

...

Keyword(s):

Carbon Nanotubes ◽

Band Gap ◽

Electronic Transport ◽

Density Functional ◽

Covalent Bond ◽

Single Walled Carbon Nanotubes ◽

First Principle Calculation ◽

Single Walled Carbon ◽

Co Doping ◽

Walled Carbon Nanotubes

Based on first-principle calculation, the geometry and electronic transport properties of the boron and nitrogen co-doping single-walled carbon nanotubes are investigated by using density functional theory combined with non-equilibrium Green's functions. The results show that the BN atoms energetically tend to form covalent bond of BN along axis in the nanotubes. In contrast to solely B or N doping, the co-doping do not generate accepter or donor subbands near the Fermi level. The co-doping give rise to the reduction of band gap in semiconducting (10, 0) tube and, furthermore, introduces the band gap to the metallic (5, 5) tube.

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