Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings

Xiao-Ning Wang, Jun-Zhe Lu, Heng-Jiang Zhu, Fang-Fang Li, Miao-Miao Ma, Gui-Ping Tan

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Front. Phys. ›› 2018, Vol. 13 ›› Issue (4) : 136106. DOI: 10.1007/s11467-018-0792-0
RESEARCH ARTICLE
RESEARCH ARTICLE

Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings

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Abstract

Based on experimental results, we obtain five types of single-walled carbon nanotube (SWNT) clusters with different chirality indices and diameters using density functional theory (DFT). We then obtain the corresponding SWNTs by using periodic boundary conditions. Studies of the stability and electronic properties show that the stability of the novel SWNTs is independent of the chirality index and relates only to the tube diameter; larger diameters correspond to more stable SWNTs. The electronic properties all show metallic characteristics independent of the chirality indices and tube diameters, thereby promoting the application of metallic-type SWNTs.

Keywords

four- and eight-membered rings / novel SWNTs / stability / electronic properties

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Xiao-Ning Wang, Jun-Zhe Lu, Heng-Jiang Zhu, Fang-Fang Li, Miao-Miao Ma, Gui-Ping Tan. Novel single-walled carbon nanotubes periodically embedded with four- and eight-membered rings. Front. Phys., 2018, 13(4): 136106 https://doi.org/10.1007/s11467-018-0792-0

References

[1]
S. I. Yengejeh, S. A. Kazemi, and A. Öchsner, Advances in mechanical analysis of structurally and atomically modified carbon nanotubes and degenerated nanostructures: A review, Compos. Part B Eng. 86, 95 (2016)
CrossRef ADS Google scholar
[2]
Y. Cao, S. Cong, X. Cao, F. Wu, Q. Liu, M. R. Amer, and C. Zhou, Review of electronics based on singlewalled carbon nanotubes, Top. Curr. Chem. 375(5), 75 (2017)
CrossRef ADS Google scholar
[3]
F. Yang, X. Wang, D. Zhang, J. Yang, D. Luo, Z. Xu, J. Wei, J. Q. Wang, Z. Xu, F. Peng, X. Li, R. Li, Y. Li, M. Li, X. Bai, F. Ding, and Y. Li, Chirality-specific growth of single-walled carbon nanotubes on solid alloy catalysts, Nature 510(7506), 522 (2014)
CrossRef ADS Google scholar
[4]
Y. Tang, J. Lu, D. Liu, X. Yan, C. Yao, and H. Zhu, Structural derivative and electronic property of armchair carbon nanotubes from carbon clusters, Journal of Nanomaterials2017 (2017)
CrossRef ADS Google scholar
[5]
J. Liu, J. Lu, X. Lin, Y. Tang, Y. Liu, T. Wang, and H. Zhu, The electronic properties of chiral carbon nanotubes, Comput. Mater. Sci. 129, 290 (2017)
CrossRef ADS Google scholar
[6]
Y. N. Liu, J. Z. Lu, H. J. Zhu, Y. C. Tang, X. Lin, J. Liu, and T. Wang, Derivative and electronic properties of zigzag carbon nanotubes, Acta Physica Sinica 66(9), 093601 (2017)
[7]
S. Liu and X. Guo, Functional single-walled carbon nanotube-based molecular devices, Acta Chimi. Sin. 71(04), 478 (2013)
CrossRef ADS Google scholar
[8]
I. V. Zaporotskova, N. P. Boroznina, Y. N. Parkhomenko, and L. V. Kozhitov, Carbon nanotubes: Sensor properties, a review, Modern Electronic Materials 2(4), 95 (2016)
CrossRef ADS Google scholar
[9]
M. Sheikhpour, A. Golbabaie, and A. Kasaeian, Carbon nanotubes: A review of novel strategies for cancer diagnosis and treatment, Mater. Sci. Eng. C 76(November), 1289 (2017)
CrossRef ADS Google scholar
[10]
M. V. Chernysheva, E. A. Kiseleva, N. I. Verbitskii, A. A. Eliseev, A. V. Lukashin, Y. D. Tretyakov, S. V. Savilov, N. A. Kiselev, O. M. Zhigalina, A. S. Kumskov, A. V. Krestinin, and J. L. Hutchison, The electronic properties of SWNTs intercalated by electron acceptors, Physica E 40(7), 2283 (2008)
CrossRef ADS Google scholar
[11]
T. Tanaka, H. Jin, Y. Miyata, and H. Kataura, Highyield separation of metallic and semiconducting singlewall carbon nanotubes by agarose gel electrophoresis, Appl. Phys. Express 1(11), 1140011 (2008)
[12]
F. Zhang, P. X. Hou, C. Liu, B. W. Wang, H. Jiang, M. L. Chen, D. M. Sun, J. C. Li, H. T. Cong, E. I. Kauppinen, and H. M. Cheng, Growth of semiconducting single-wall carbon nanotubes with a narrow bandgap distribution, Nat. Commun. 7, 1 (2016)
[13]
I. Yahya, F. Bonaccorso, S. K. Clowes, A. C. Ferrari, and S. R. P. Silva, Temperature dependent separation of metallic and semiconducting carbon nanotubes using gel agarose chromatography, Carbon 93, 574 (2015)
CrossRef ADS Google scholar
[14]
H. Liu, Y. Feng, T. Tanaka, Y. Urabe, and H. Kataura, Diameter-selective metal/semiconductor separation of single-wall carbon nanotubes by agarose gel,J. Phys. Chem. C 114(20), 9270 (2010)
CrossRef ADS Google scholar
[15]
F. Yang, X. Wang, D. Zhang, K. Qi, J. Yang, Z. Xu, M. Li, X. Zhao, X. Bai, and Y. Li, Growing zigzag (16, 0) carbon nanotubes with structure-defined catalysts, J. Am. Chem. Soc. 137(27), 8688 (2015)
CrossRef ADS Google scholar
[16]
F. Yang, X. Wang, M. Li, X. Liu, X. Zhao, D. Zhang, Y. Zhang, J. Yang, and Y. Li, Templated synthesis of single-walled carbon nanotubes with specific structure, Acc. Chem. Res. 49(4), 606 (2016)
CrossRef ADS Google scholar
[17]
H. Terrones, M. Terrones, E. Hernández, N. Grobert, J. C. Charlier, and P. M. Ajayan, New metallic allotropes of planar and tubular carbon, Phys. Rev. Lett. 84(8), 1716 (2000)
CrossRef ADS Google scholar
[18]
L. P. Biró, G. I. Márk, Z. E. Horváth, K. Kertész, J. Gyulai, J. B. Nagy, and P. Lambin, Carbon nanoarchitectures containing non-hexagonal rings: “necklaces of pearls, Carbon 42(12–13), 2561 (2004)
CrossRef ADS Google scholar
[19]
S. Zhang, J. Zhou, Q. Wang, X. Chen, Y. Kawazoe, and P. Jena, Penta-graphene: A new carbon allotrope, Proc. Natl. Acad. Sci. USA 112(8), 2372 (2015)
CrossRef ADS Google scholar
[20]
C. Liu and H. M. Cheng, Controlled growth of semiconducting and metallic single-wall carbon nanotubes, J. Am. Chem. Soc. 138(21), 6690 (2016)
CrossRef ADS Google scholar
[21]
G. Algara-Siller, A. Santana, R. Onions, M. Suyetin, J. Biskupek, E. Bichoutskaia, and U. Kaiser, Electronbeam engineering of single-walled carbon nanotubes from bilayer graphene, Carbon 65, 80 (2013)
CrossRef ADS Google scholar
[22]
T. Xu, Y. Zhou, X. Tan, K. Yin, L. He, F. Banhart, and L. Sun, Creating the smallest BN nanotube from bilayer H-BN, Adv. Funct. Mater. 27(19), 1603897 (2017)
CrossRef ADS Google scholar
[23]
M. Liu, M. Liu, L. She, Z. Zha, J. Pan, S. Li, T. Li, Y. He, Z. Cai, J. Wang, Y. Zheng, X. Qiu, and D. Zhong, Graphene-like nanoribbons periodically embedded with four- and eight-membered rings, Nat. Commun. 8, 1 (2017)
CrossRef ADS Google scholar
[24]
Y. L. Wang, K. H. Su, and J. P. Zhang, Studying of B, N, S, Si and P Doped (5; 5) carbon nanotubes by the density functional theory, Adv. Mat. Res.463–464, 1488 (2012)
CrossRef ADS Google scholar
[25]
C. Garau, A. Frontera, D. Quiñonero, A. Costa, P. Ballester, and P. M. Deyà, Structural and energetic features of single-walled carbon nanotube junctions: A theoretical ab initio study, Chem. Phys. 303(3), 265 (2004)
CrossRef ADS Google scholar
[26]
J. Bai, X. C. Zeng, H. Tanaka, and J. Y. Zeng, Metallic single-walled silicon nanotubes, Proc. Natl. Acad. Sci. USA 101(9), 2664 (2004)
CrossRef ADS Google scholar
[27]
L. Guo, X. Zheng, C. Liu, W. Zhou, and Z. Zeng, An ab initio study of cluster-assembled hydrogenated silicon nanotubes, Comput. Theor. Chem. 982, 17 (2012)
CrossRef ADS Google scholar
[28]
M. S. Alam, F. Muttaqien, A. Setiadi, and M. Saito, First-principles calculations of hydrogen monomers and dimers adsorbed in graphene and carbon nanotubes, J. Phys. Soc. Jpn. 82(4), 1 (2013)
[29]
L. Qi, J. Y. Huang, J. Feng, and J. Li, In situ observations of the nucleation and growth of atomically sharp graphene bilayer edges, Carbon 48(8), 2354 (2010)
CrossRef ADS Google scholar
[30]
J. Y. Huang, F. Ding, B. I. Yakobson, P. Lu, L. Qi, and J. Li, In situ observation of graphene sublimation and multi-layer edge reconstructions, Proc. Natl. Acad. Sci. USA 106(25), 10103 (2009)
CrossRef ADS Google scholar
[31]
D. W. Boukhvalov and M. I. Katsnelson, Chemical functionalization of graphene, J. Phys.: Condens. Matter 21(34), 344205 (2009)
CrossRef ADS Google scholar
[32]
A. R. Botello-Méndez, E. Cruz-Silva, F. López-Urías, B. G. Sumpter, V. Meunier, M. Terrones, and H. Terrones, Spin polarized conductance in hybrid graphene nanoribbons using 5–7 defects, ACS Nano 3(11), 3606 (2009)
CrossRef ADS Google scholar
[33]
Q. Q. Dai, Y. F. Zhu, and Q. Jiang, Electronic and magnetic engineering in zigzag graphene nanoribbons having a topological line defect at different positions with or without strain, J. Phys. Chem. C 117(9), 4791 (2013)
CrossRef ADS Google scholar
[34]
X. Peng and R. Ahuja, Symmetry breaking induced bandgap in epitaxial graphene layers on SiC, Nano Lett. 8(12), 4464 (2008)
CrossRef ADS Google scholar
[35]
S. Reich, L. Li, and J. Robertson, Structure and formation energy of carbon nanotube caps, Phys. Rev. B 72(16), 1654231 (2005)
CrossRef ADS Google scholar
[36]
S. Singh and A. H. Romero, Giant tunable rashba spin splitting in a two-dimensional BiSb monolayer and in BiSb/AlN heterostructures, Phys. Rev. B 95(16), 165444 (2017)
CrossRef ADS Google scholar

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