BRIEF REPORTSNo Access

A SIMULATION STUDY ON THE PROCESS OF NICKEL FILLING INTO CARBON NANOTUBES

BAI LIU

Shenzhen Institute of Information Technology, Shenzhen 518172, P. R. China

Corresponding author.

Search for more papers by this author

LIRUI LIU

The University of Hong Kong, 5N01 Kadoorie Building, Pokfulam Road, Hong Kong

Search for more papers by this author

, and

ZHENYU ZHAO

Shenzhen Institute of Information Technology, Shenzhen 518172, P. R. China

Search for more papers by this author

https://doi.org/10.1142/S1793292014500921Cited by:0 (Source: Crossref)

Abstract

Carbon Nanotubes (CNTs) filled with metals can be used in capacitors, sensors, rechargeable batteries and so on. In this study, the process of Nickel filling into single wall CNTs was studied by molecular dynamics (MD) simulation. Three models consisting of Nickel atoms and CNTs were established. These models were cooled from 1500 K to 100 K to analyze the factors that influence the filling height, such as temperature, the force between Carbon and Nickel atoms, as well as CNTs diameter. The results showed that filling height increased as the temperature and the force between Carbon–Nickel atoms rised. Filling height reduced with the increasing diameter of CNTs.

Keywords:

References

S. Iijima , Nature 354 , 56 ( 1991 ) . Crossref, Web of Science, Google Scholar
M. R. Pederson and T. Q. Broughton , Phys. Rev. Lett. 69 , 2689 ( 1992 ) . Crossref, Web of Science, Google Scholar
P. M. Ajayan et al. , Nature 362 , 522 ( 1993 ) . Crossref, Web of Science, Google Scholar
E. Dujardin et al. , Science 265 , 1850 ( 1994 ) . Crossref, Web of Science, Google Scholar
D. Ugarte , A. Chatelain and W. A. deHeer , Science 274 , 1897 ( 1996 ) . Crossref, Web of Science, Google Scholar
S. C. Tsang et al. , Nature 372 , 159 ( 1994 ) . Crossref, Web of Science, Google Scholar
J. Sloan et al. , J. Cryst. Growth 173 , 81 ( 1997 ) . Crossref, Web of Science, Google Scholar
J. Sloan et al. , J. Mater. Chem. 7 , 1089 ( 1997 ) . Crossref, Web of Science, Google Scholar
R. M. Lago et al. , J. Chem. Soc. Commum. 13 , 1355 ( 1995 ) . Crossref, Web of Science, Google Scholar
J. Mittal et al. , Chem. Phys. Lett. 339 , 311 ( 2001 ) . Crossref, Web of Science, Google Scholar
C. Müller et al. , Carbon 44 , 1746 ( 2006 ) . Crossref, Web of Science, Google Scholar
J. Cheng et al. , Carbon 41 , 1965 ( 2003 ) . Crossref, Web of Science, Google Scholar
E. Philp et al. , Nat. Mater. 2 , 788 ( 2003 ) . Crossref, Web of Science, Google Scholar
R. R. Meyer et al. , Science 289 , 1324 ( 2000 ) . Crossref, Web of Science, Google Scholar
L. H. Guan et al. , Chem. Commun. 17 , 1988 ( 2004 ) . Crossref, Web of Science, Google Scholar
D. V. Talapin et al. , Nature 461 , 964 ( 2009 ) . Crossref, Web of Science, Google Scholar
B. L. Wang et al. , Phys. Rev. Lett. 86 , 2046 ( 2001 ) . Crossref, Web of Science, Google Scholar
C. H. Liang et al. , J. Cryst. Growth 218 , 136 ( 2000 ) . Crossref, Web of Science, Google Scholar
J. C. Bao et al. , Adv. Mater. 14 , 1483 ( 2002 ) . Crossref, Web of Science, Google Scholar
S. Toh et al. , J. Electron. Microsc. 53 , 149 ( 2003 ) . Crossref, Web of Science, Google Scholar
N. Demoncy et al. , Eur. Phys. J. B 14 , 147 ( 1998 ) . Crossref, Web of Science, Google Scholar
B. Liu, X. J. Liu and Z. Y. Zhao, Study on synthesis process of carbon nanotubes by CCVD at lower temperature, Proc. 5th Int. Conf. MEMS, NANO and Smart Systems (2009) pp. 122–124. Google Scholar
B. Liu, X. J. Liu and Z. Y. Zhao, Kinetic analysis of nickel filled in carbon nanotubes by hydrothermal oxidation/ultrasonic vibration method, Proc. 5th Int. Conf. MEMS, NANO and Smart Systems (2009) pp. 125–128. Google Scholar
E. Dujardin et al. , Nature 375 , 564 ( 1995 ) . Crossref, Web of Science, Google Scholar
Y. Qi , T. Cagin and W. L. Johnson , J. Chem. Phys. 1 , 115 ( 2001 ) . Google Scholar
F. Kevin et al. , Phys. Rev. B 57 , 13430 ( 1998 ) . Crossref, Web of Science, Google Scholar