Molecular Dynamics Study on Formation of Carbon Nanotube X-Shaped Junction by Heat Welding

Abstract:

Molecular dynamics simulations are used to investigate the junction formation of two crossed single-walled carbon nanotubes (SWCNTs) with or without preexisting structural defects by heat welding. The junction formation of the chiral SWCNTs by heat welding is discussed. Furthermore, both the single vacancy defects and double vacancy defects are introduced in SWCNTs to explore the effect on junction formation by heat welding. We found the single vacancy defects and double vacancy defects pairs distributed on both crossed SWCNTs will accelerate the heat welding process and make the junction easier, and the required temperature for junction formation will be significantly reduced.

• Periodical: Advanced Materials Research (Volumes 538-541)
• Pages: 1460-1463
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.538-541.1460
• Online since: June 2012
• Authors: Xue Ming Yang, Dong Ci Chen
• Keywords: Molecular Dynamics (MD) Simulation, Single-Walled Carbon Nanotube (SWCNT), Vacancy Defects, X-Shaped Junctionn

References

[1] Z. Yao, H.W. Postma, L. Balents, and C. Dekker, Nature 402, 273-276 (2001).

[2] R.H. Baughman, A.A. Zakhidov, and W.A. de Heer, Science 297 (2002).

[3] F. Banhart, Nano Lett. 1, 329-332 (2001)

[4] M. Terrones, F. Banhart, N. Grobert, J. C. Charlier, H. Terrones and P. M. Ajayan, Phys. Rev. Lett. 89, 075505 (2002)

DOI: 10.1103/physrevlett.89.075505

[5] F.Y. Meng, S.Q. Shi, D.S. Xu and R. Yang, Phys. Rev. B. 70, 125418 (2004)

[6] F.Y. Meng, S.Q. Shi, D.S. Xu and R. Yang, Carbon 44, 1263–1266 (2006)

[7] N.M. Piper, Y. Fu, J. Tao, X. Yang, and A.C. To, Chem. Phys Lett. 502, 231–234 (2011)

[8] S.J. Plimpton, J. Comput. Phys. 117, 1(1995).

[9] D.W. Brenner, O.A. Shenderova, J.A. Harrison, S.J. Stuart, B. Ni, and S.B. Sinnott, J. Phys.: Condens. Matter. 14, 783-802 (2002).

DOI: 10.1088/0953-8984/14/4/312