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

2008 ◽  
Vol 113 (2) ◽  
pp. 571-575 ◽  
Author(s):  
Shingo Okubo ◽  
Toshiya Okazaki ◽  
Naoki Kishi ◽  
Soon-Kil Joung ◽  
Takeshi Nakanishi ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

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

2017 ◽  
Vol 129 (40) ◽  
pp. 12408-12412
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

Energy Band Calculation of Spiral Single-Walled Carbon Nanotubes

2012 ◽  
Vol 535-537 ◽  
pp. 341-344 ◽  
Author(s):  
Hong Xia Wang ◽  
Zi Biao Song ◽  
Dai Zhi Liu
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Electron Energy ◽  
Energy Band ◽  
Structural Parameters ◽  
Tight Binding ◽  
Single Walled Carbon Nanotubes ◽  
Vector Equation ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

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.

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

2017 ◽  
Vol 56 (40) ◽  
pp. 12240-12244 ◽  
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

A symmetry based investigation of the band gap of SWCNTs

Open Physics ◽  
2008 ◽  
Vol 6 (4) ◽  
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.

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

2011 ◽  
Vol 25 (14) ◽  
pp. 1211-1218 ◽  
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.

scholarly journals Reversible, Band-Gap-Selective Protonation of Single-Walled Carbon Nanotubes in Solution

2003 ◽  
Vol 107 (29) ◽  
pp. 6979-6985 ◽  
Author(s):  
Michael S. Strano ◽  
Chad B. Huffman ◽  
Valerie C. Moore ◽  
Michael J. O'Connell ◽  
Erik H. Haroz ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Band Gap ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes
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