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Print ISSN: 1582-7445
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doi: 10.4316/AECE


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  3/2017 - 2

Vacancy Induced Energy Band Gap Changes of Semiconducting Zigzag Single Walled Carbon Nanotubes

DERELI, G. See more information about DERELI, G. on SCOPUS See more information about DERELI, G. on IEEExplore See more information about DERELI, G. on Web of Science, EYECIOGLU, O. See more information about  EYECIOGLU, O. on SCOPUS See more information about  EYECIOGLU, O. on SCOPUS See more information about EYECIOGLU, O. on Web of Science, MISIRLIOGLU, B. S. See more information about MISIRLIOGLU, B. S. on SCOPUS See more information about MISIRLIOGLU, B. S. on SCOPUS See more information about MISIRLIOGLU, B. S. on Web of Science
 
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Author keywords
single-walled carbon nanotubes, order N tight-binding molecular dynamics, vacancy, energy band gap, electronic properties

References keywords
carbon(29), nanotubes(21), single(11), tight(10), binding(10), walled(8), properties(8), molecular(8), electronic(8), dynamics(7)
Blue keywords are present in both the references section and the paper title.

About this article
Date of Publication: 2017-08-31
Volume 17, Issue 3, Year 2017, On page(s): 11 - 18
ISSN: 1582-7445, e-ISSN: 1844-7600
Digital Object Identifier: 10.4316/AECE.2017.03002
Web of Science Accession Number: 000410369500002
SCOPUS ID: 85028550042

Abstract
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In this work, we have examined how the multi-vacancy defects induced in the horizontal direction change the energetics and the electronic structure of semiconducting Single-Walled Carbon Nanotubes (SWCNTs). The electronic structure of SWCNTs is computed for each deformed configuration by means of real space, Order(N) Tight Binding Molecular Dynamic (O(N) TBMD) simulations. Energy band gap is obtained in real space through the behavior of electronic density of states (eDOS) near the Fermi level. Vacancies can effectively change the energetics and hence the electronic structure of SWCNTs. In this study, we choose three different kinds of semiconducting zigzag SWCNTs and determine the band gap modifications. We have selected (12,0), (13,0) and (14,0) zigzag SWCNTs according to n (mod 3) = 0, n (mod 3) = 1 and n (mod 3) = 2 classification. (12,0) SWCNT is metallic in its pristine state. The application of vacancies opens the electronic band gap and it goes up to 0.13 eV for a di-vacancy defected tube. On the other hand (13,0) and (14,0) SWCNTs are semiconductors with energy band gap values of 0.44 eV and 0.55 eV in their pristine state, respectively. Their energy band gap values decrease to 0.07 eV and 0.09 eV when mono-vacancy defects are induced in their horizontal directions. Then the di-vacancy defects open the band gap again. So in both cases, the semiconducting-metallic - semiconducting transitions occur. It is also shown that the band gap modification exhibits irreversible characteristics, which means that band gap values of the nanotubes do not reach their pristine values with increasing number of vacancies.


References | Cited By  «-- Click to see who has cited this paper

[1] S. Iijima and T. Ichihashi, "Single-shell carbon nanotubes of 1-nm diameter," Nature, vol. 363, no. 6430, pp. 603-605, 1993.
[CrossRef] [Web of Science Times Cited 6914] [SCOPUS Times Cited 7640]


[2] P. Avouris, Z. Chen, and V. Perebeinos, "Carbon-based electronics," Nat Nano, vol. 2, no. 10, pp. 605-615, Oct. 2007.
[CrossRef] [Web of Science Times Cited 2081] [SCOPUS Times Cited 2205]


[3] C. Dekker, "Carbon Nanotubes as Molecular Quantum Wires," Phys. Today, vol. 52, no. 5, pp. 22-28, 1999.
[CrossRef] [Web of Science Times Cited 1242] [SCOPUS Times Cited 1347]


[4] T. W. Ebbesen and T. Takada, "Topological and SP3 defect structures in nanotubes," Carbon N. Y., vol. 33, no. 7, pp. 973-978, Jan. 1995.
[CrossRef] [Web of Science Times Cited 231] [SCOPUS Times Cited 239]


[5] A. Hashimoto, K. Suenaga, A. Gloter, K. Urita, and S. Iijima, "Direct evidence for atomic defects in graphene layers.," Nature, vol. 430, no. 7002, pp. 870-873, Aug. 2004.
[CrossRef] [Web of Science Times Cited 1390] [SCOPUS Times Cited 1470]


[6] J. A. Rodriguez-Manzo and F. Banhart, "Creation of individual vacancies in carbon nanotubes by using an electron beam of 1? Å diameter," Nano Lett., vol. 9, no. 6, pp. 2285-2289, 2009.
[CrossRef] [Web of Science Times Cited 128] [SCOPUS Times Cited 134]


[7] A. Tolvanen, G. Buchs, P. Ruffieux, P. Groning, O. Groning, and A. V Krasheninnikov, "Modifying the electronic structure of semiconducting single-walled carbon nanotubes by Ar+ ion irradiation," Phys. Rev. B, vol. 79, no. 12, p. 125430, Mar. 2009.
[CrossRef] [Web of Science Times Cited 42] [SCOPUS Times Cited 47]


[8] J. A. Robinson, E. S. Snow, S. C. Badescu, T. L. Reinecke, and F. K. Perkins, "Role of Defects in Single-Walled Carbon Nanotube Chemical Sensors," Nano Lett., vol. 6, no. 8, pp. 1747-1751, Aug. 2006.
[CrossRef] [Web of Science Times Cited 392] [SCOPUS Times Cited 404]


[9] M. K. Kostov, E. E. Santiso, A. M. George, K. E. Gubbins, M. B. Nardelli, "Dissociation of Water on Defective Carbon Substrates," Phys. Rev. Lett., vol. 95, no. 13, p. 136105, Sep. 2005.
[CrossRef] [Web of Science Times Cited 124] [SCOPUS Times Cited 135]


[10] L.-G. Tien, C.-H. Tsai, F.-Y. Li, M.-H. Lee, "Band-gap modification of defective carbon nanotubes under a transverse electric field," Phys. Rev. B, vol. 72, no. 24, p. 245417, Dec. 2005.
[CrossRef] [Web of Science Times Cited 35] [SCOPUS Times Cited 35]


[11] Y. V Shtogun, L. M. Woods, "Electronic and magnetic properties of deformed and defective single wall carbon nanotubes," Carbon N. Y., vol. 47, no. 14, pp. 3252-3262, Nov. 2009.
[CrossRef] [Web of Science Times Cited 32] [SCOPUS Times Cited 33]


[12] H. Zeng, J. Zhao, H. Hu, J.-P. Leburton, "Atomic vacancy defects in the electronic properties of semi-metallic carbon nanotubes," J. Appl. Phys., vol. 109, no. 8, 2011.
[CrossRef] [Web of Science Times Cited 11] [SCOPUS Times Cited 12]


[13] G. Kim, B. W. Jeong, J. Ihm, "Deep levels in the band gap of the carbon nanotube with vacancy-related defects," Appl. Phys. Lett., vol. 88, no. 19, 2006.
[CrossRef] [Web of Science Times Cited 43] [SCOPUS Times Cited 45]


[14] S.-H. Jhi, "An ab initio study of the electronic properties of carbon nanotubes activated by hydrogen-passivated vacancies," Carbon N. Y., vol. 45, no. 10, pp. 2031-2036, Sep. 2007.
[CrossRef] [Web of Science Times Cited 4] [SCOPUS Times Cited 5]


[15] L. V. Liu, W. Q. Tian, Y. A. Wang, "Ab initio studies of vacancy-defected fullerenes and single-walled carbon nanotubes," Int. J. Quantum Chem., vol. 109, no. 14, pp. 3441-3456, 2009.
[CrossRef] [Web of Science Times Cited 16] [SCOPUS Times Cited 16]


[16] Q.-X. Zhou, C.-Y. Wang, Z.-B. Fu, Y.-J. Tang, H. Zhang, "Effects of various defects on the electronic properties of single-walled carbon nanotubes: A first principle study," Front. Phys., vol. 9, no. 2, pp. 200-209, 2014.
[CrossRef] [Web of Science Times Cited 29] [SCOPUS Times Cited 30]


[17] J. Kotakoski, A. V Krasheninnikov, K. Nordlund, "Energetics, structure, and long-range interaction of vacancy-type defects in carbon nanotubes: Atomistic simulations," Phys. Rev. B, vol. 74, no. 24, p. 245420, 2006.
[CrossRef] [Web of Science Times Cited 168] [SCOPUS Times Cited 173]


[18] L.-G. Tien, C.-H. Tsai, F.-Y. Li, M.-H. Lee, "Influence of vacancy defect density on electrical properties of armchair single wall carbon nanotube," Diam. Relat. Mater., vol. 17, no. 4-5, pp. 563-566, Apr. 2008.
[CrossRef] [Web of Science Times Cited 11] [SCOPUS Times Cited 10]


[19] Y.-J. Kang, Y.-H. Kim, K. J. Chang, "Electrical transport properties of nanoscale devices based on carbon nanotubes," Curr. Appl. Phys., vol. 9, no. 1, Supplement, pp. S7-S11, Jan. 2009.
[CrossRef] [Web of Science Times Cited 20] [SCOPUS Times Cited 21]


[20] V. V Belavin, L. G. Bulusheva, A. V Okotrub, "Modifications to the electronic structure of carbon nanotubes with symmetric and random vacancies," Int. J. Quantum Chem., vol. 96, no. 3, pp. 239-246, 2004.
[CrossRef] [Web of Science Times Cited 12] [SCOPUS Times Cited 14]


[21] C. Ozdogan, G. Dereli, T. Çagin, "O(N) parallel tight binding molecular dynamics simulation of carbon nanotubes," Comput. Phys. Commun., vol. 148, no. 2, pp. 188-205, 2002.
[CrossRef] [Web of Science Times Cited 12] [SCOPUS Times Cited 14]


[22] G. Dereli, C. Ozdogan, "O(N) algorithms in tight-binding molecular-dynamics simulations of the electronic structure of carbon nanotubes," Phys. Rev. B, vol. 67, no. 3, p. 35415, 2003.
[CrossRef] [Web of Science Times Cited 9] [SCOPUS Times Cited 1]


[23] G. Dereli, C. Ozdogan, "The Structural Stability and Energetics of Single-Walled Carbon Nanotubes under Uniaxial Strain," Phys. Rev. B, vol. 67, p. 0354416, 2003.
[CrossRef] [Web of Science Times Cited 65] [SCOPUS Times Cited 84]


[24] G. Dereli, B. Sungu, "Temperature dependence of the tensile properties of single-walled carbon nanotubes: "O(N) tight-binding molecular-dynamics simulations," Phys. Rev. B, vol. 75, no. 18, p. 184104, May 2007.
[CrossRef] [Web of Science Times Cited 26] [SCOPUS Times Cited 33]


[25] G. Dereli, B. S. Misirlioglu, O. Eyecioglu, and N. Vardar, "A new lower limit for the bond breaking strains of defect-free carbon nanotubes: Tight binding MD simulation study," Comput. Mater. Sci., vol. 69, pp. 234-242, Mar. 2013.
[CrossRef] [Web of Science Times Cited 4] [SCOPUS Times Cited 5]


[26] G. Dereli, B. Sungu, and C. Ozdogan, "Thermal stability of metallic single-walled carbon nanotubes: an O( N ) tight-binding molecular dynamics simulation study," Nanotechnology, vol. 18, no. 24, p. 245704, 2007.
[CrossRef] [Web of Science Times Cited 7] [SCOPUS Times Cited 9]


[27] G. Dereli, O. Eyecioglu, and B. S. Misirlioglu, "Strain modulated band gaps of semiconducting zigzag single walled carbon nanotubes," J. Optoelectron. Adv. Mater., vol. 17, no. 7, pp. 918-924, 2015. [Online] Available: Temporary on-line reference link removed - see the PDF document

[28] L. Colombo, "Tight-Binding Molecular Dynamics,", Annual Reviews of Computational Physics IV, 1996, pp. 147-183.
[CrossRef]


[29] L. Colombo, "A source code for tight-binding molecular dynamics simulations," Comput. Mater. Sci., vol. 12, no. 3, pp. 278-287, Oct. 1998.
[CrossRef] [Web of Science Times Cited 28] [SCOPUS Times Cited 32]


[30] C. H. Xu, C. Z. Wang, C. T. Chan, and K. M. Ho, "A transferable tight-binding potential for carbon," J. Phys. Condens. Matter, vol. 4, no. 28, p. 6047, 1992.

[31] P. Ordejon, "Order-N tight-binding methods for electronic-structure and molecular dynamics," Comput. Mater. Sci., vol. 12, no. 3, pp. 157-191, 1998.
[CrossRef] [Web of Science Times Cited 96] [SCOPUS Times Cited 111]


[32] D. R. Bowler, M. Aoki, C. M. Goringe , A.P. Horsfield and D.G. Pettifor, "A Comparison of Linear Scaling Tight-Binding Methods", Modelling Simul. Mater. Sci. Eng.,5: 199-222,1997.
[CrossRef] [Web of Science Times Cited 75] [SCOPUS Times Cited 84]


[33] W. Yang, "Direct calculation of electron density in density-functional theory," Phys. Rev. Lett., vol. 66, no. 11, pp. 1438-1441, Mar. 1991.
[CrossRef] [Web of Science Times Cited 808] [SCOPUS Times Cited 864]


[34] L. Verlet, "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review 159: 98-103, 1967.
[CrossRef] [SCOPUS Times Cited 6957]




References Weight

Web of Science® Citations for all references: 14,055 TCR
SCOPUS® Citations for all references: 22,209 TCR

Web of Science® Average Citations per reference: 402 ACR
SCOPUS® Average Citations per reference: 635 ACR

TCR = Total Citations for References / ACR = Average Citations per Reference

We introduced in 2010 - for the first time in scientific publishing, the term "References Weight", as a quantitative indication of the quality ... Read more

Citations for references updated on 2022-11-28 06:58 in 290 seconds.




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