Molecular dynamics of the generation process of double-walled carbon nanotubes from peapods

Heat Transfer - Asian Research

Volumn 35, Issue 4, 2006, Pages 254-264

  Shibuta, Yasushi ^a   Maruyama, Shigeo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Double walled carbon nanotubes; Molecular dynamics method; Peapods

Indexed keywords

COMPUTER SIMULATION; FULLERENES; MOLECULAR DYNAMICS; POTENTIAL ENERGY; TEMPERATURE CONTROL;

CHIRALITY; DOUBLE-WALLED CARBON NANOTUBES (DWNT); LENNARD-JONES POTENTIAL; PEAPODS;

CARBON NANOTUBES;

CARBON NANOTUBES; COMPUTER SIMULATION; FULLERENES; MOLECULAR DYNAMICS; POTENTIAL ENERGY; TEMPERATURE CONTROL;

EID: 33745288744     PISSN: 10992871     EISSN: 15231496     Source Type: Journal    
DOI: 10.1002/htj.20115     Document Type: Article

References (32)

1. Iijima S. Helical microtubes of graphitic carbon. Nature 1991;354:56-58.
2. Iijima S, Ichihashi T. Single-shell carbon nanotubes of 1-nm diameter. Nature 1993;363:603-605.
3. Saito R, Dresselhaus G, Dresselhaus MS. Physical properties of carbon nanotubes. Imperial College Press; 1998. Chapter 3.
4. Thess A, Lee R, Nikoraev P, Dai H, Petit P, Robert J, Xu C, Lee YH, Kim SG, Rinzler AG, Colbert DT, Scuseria GE, Tománek D, Fischer JE, Smalley RE. Crystalline ropes of metallic carbon nanotubes. Science 1996;273:483-487.
5. Journet C, Maser WK, Bernier P, Louseau A, de la Chapelle ML, Lefrant S, Deniard P, Lee R, Fisher JE. Large-scale production of single-walled carbon nanotubes by the electric-arc technique. Nature 1997;388:756-758.
6. Dai H, Rinzler AG, Nikolaev P, Thess A, Colbert DT, Smalley RE. Single-wall nanotubes produced by metal-catalyzed disproportionation of carbon monoxide. Chem Phys Lett 1996;260:471-475.
7. Maruyama S, Kojima R, Miyauchi Y, Chiashi S, Kohno M. Low-temperature synthesis of high-purity single-walled carbon nanotubes from alcohol. Chem Phys Lett 2002;360:229-234.
8. Maruyama S, Miyauchi Y, Chiashi S, Kohno. M. Low-temperature generation of high-purity single-walled carbon nanotubes by alcohol CCVD technique. Trans JSME Ser B 2003;69-680:918-924.
9. Maruyama S. Synthesis of single-walled carbon nanotubes and characterization with resonant Raman scattering. Trans JSME Ser B 2003;69-682:1495-1502.
10. Murakami Y, Miyauchi Y, Chiashi S, Maruyama S. Characterization of single-walled carbon nanotubes catalytically synthesize from alcohol. Chem Phys Lett 2003;374:53-58.
11. Murakami Y, Miyauchi Y, Chiashi S, Maruyama S. Direct synthesis of high-quality single-walled carbon nanotubes on silicon and quartz substrates. Chem Phys Lett 2003;377:49-54.
12. 60 in carbon nanotubes. Nature 1998;396:323-324.
13. Rinzler, AG, Lie J, Dai H, Nikolaev P, Huffman CB, Rodríguez-Macías FJ, Boul PJ, Lu AH, Heymann D, Colbert DT, Lee RS, Fischer JE, Rao AM, Eklund PC, Smalley RE. Large-scale purification of single-wall carbon nanotubes: process, product, and characterization. Appl Phys A 1998;67:29-37.
14. Smith BW, Luzzi DE. Formation mechanism of fullerene peapods and coaxial tubes: a path to large scale synthesis. Chem Phys Lett 2000;321:169-174.
15. Kataura H, Maniwa Y, Kodama T, Kikuchi & Hirakawa K, Suenaga K, Iijima S, Suzuki S, Achiba Y, Krätschmer W. High-yield fullerene encapsulation in single-wall carbon nanotubes. Synth Metals 2001;121:1195-1196.
16. Hirahara K, Bandow S, Suenaga K, Kato H, Okazaki T, Shinohara H, Iijima S. Electron diffraction study of one-dimensional crystals of fullerenes. Phys Rev B 2001;64:115420-1-115420-5.
17. Hirahara K, Suenaga K, Bandow S, Kato H, Okazaki T, Shinohara H, Iijima S. One-dimensional metallofullerene crystal generation inside single-walled carbon nanotubes. Phys Rev Lett 2000;85:5384-5387.
18. Smith BW, Monthioux M, Luzzi DE. Carbon nanotube encapsulated fullerenes: a unique class of hybrid materials. Chem Phys Lett 1999;315:31-36.
19. Bandow S, Takizawa M, Hirahara K, Yudasaka M, Iijima S. Raman scattering study of double-wall carbon nanotubes derived from the chains of fullerenes in single-wall carbon nanotubes. Chem Phys Lett 2001;337:48-54.
20. Sugai T, Yoshida H, Shimada T, Okazaki T, Shinohara H. New synthesis of high-quality double-walled carbon nanotubes by high-temperature pulsed arc discharge. Nano Lett 2003;3:769-773.
21. Hiraoka T, Kawakubo T, Kimura J, Taniguchi R, Okamoto A, Okazaki T, Sugai T, Ozeki Y, Yoshikawa M, Shinohara H. Selective synthesis of double-wall carbon nanotubes by CCVD of acetylene using zeolite supports. Chem Phys Lett 2003;382:679-685.
22. Maruyama S, Kimura T. Molecular dynamics simulation of hydrogen storage in single-walled carbon nanotubes. Proc ASME Heat Transfer Division 2000, p 405-409, 2000.
23. Saito R, Matsuo R, Kimura T, Dresselhaus G, Dresselhaus MS. Anomalous potential barrier of double-wall carbon nanotube. Chem Phys Lett 2001;348:187-193.
24. Brenner DW. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition for diamond films. Phys Rev B 1990;42:9458-9471.
25. Yamaguchi Y, Maruyama S. A molecular dynamics study on the formation of metallofullerene. Eur Phys J D 1999;9:385-388.
26. Yamaguchi Y, Maruyama S, Hori S. Molecular dynamics simulation of formation of metal-containing fullerene. Trans JSME Ser B 1999;65-630:431-436.
27. Shibuta Y, Maruyama S. Molecular dynamics simulation of generation process of SWNTs. Physica B 2002;323:187-189.
28. Shibuta Y, Maruyama S. Molecular dynamics in formation process of single-walled carbon nanotubes. Trans JSME Ser B 2002;68-675:3087-3092.
29. Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR. Molecular dynamics with coupling to an external bath. J Chem Phys 1984;81:3684-3690.
30. 60 and some related species. Chem Phys Lett 1986;128:501-503.
31. 60 structure). Trans JSME Ser B 1997;63-611:2405-2412.
32. 60 structure. Chem Phys Lett 1998;286:343-349.