A molecular dynamics study of the carbon-catalyst interaction energy for multi-scale modelling of single wall carbon nanotube growth

Chemical Physics Letters

Volumn 427, Issue 4-6, 2006, Pages 365-370

  Shibuta, Yasushi ^a   Elliott, James A ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; CONTACT ANGLE; CRYSTAL GROWTH; MOLECULAR DYNAMICS; SUBSTRATES;

MOLECULAR DYNAMICS SIMULATION; MULTI-SCALE MODELING; SINGLE WALL CARBON NANOTUBES (SWNTS); TOTAL INTERACTION ENERGY;

CARBON NANOTUBES;

EID: 33746867565     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.014     Document Type: Article

References (20)

1. Iijima S., and Ichihashi T. Nature 363 (1993) 603
2. In: Dresselhaus M.S., Dresselhaus G., and Avouris Ph. (Eds). Carbon Nanotubes Synthesis, Structure, Properties, and Applications (2001), Springer, Berlin
3. Thess A., et al. Science 273 (1996) 483
4. Yudasaka M., Yamada R., Sensui N., Wilkins T., Ichihashi T., and Iijima S. J. Phys. Chem. B 103 (1999) 6224
5. Zhang Y., Li Y., Kim W., Wang D., and Dai H. Appl. Phys. A 74 (2002) 325
6. Murakami Y., Chiashi S., Miyauchi Y., Hu M., Ogura M., Okubo T., and Maruyama S. Chem. Phys. Lett. 385 (2004) 298
7. Gavillet J., Loiseau A., Journet C., Willaime F., Ducastelle F., and Charlier J.-C. Phys. Rev. Lett. 87 (2001) 275504
8. Shibuta Y., and Maruyama S. Phys. B 323 (2002) 187
9. Shibuta Y., and Maruyama S. Chem. Phys. Lett. 382 (2003) 381
10. Ding F., Rosen A., and Bolton K. Chem. Phys. Lett. 393 (2004) 309
11. Raty J.-Y., Gygi F., and Galli F. Phys. Rev. Lett. 95 (2005) 096103
12. Maiti A., Brabec C.J., and Bernholc J. Phys. Rev. B 55 (1997) 6097
13. Kawai T., Miyamoto Y., Sugino O., and Koga Y. Phys. Rev. B 66 (2002) 033404
14. Yamaguchi Y., and Maruyama S. Euro. Phys. J. D 9 (1999) 385
15. Y. Shibuta, S. Maruyama, Comp. Mater. Sci., submitted for publication.
16. J.A. Elliott, et al., in preparation.
17. W Brenner D. Phys. Rev. B 42 (1990) 9458
18. Maruyama S., Kurashige T., Matsumoto S., Yamaguchi Y., and Kimura T. Micro Thermophys. Eng. 2 (1998) 42
19. Y. Shibuta, S. Maruyama, Trans. JSME Ser B, submitted for publication.
20. Berendsen H.J.C., M Postma J.P., van Gunsteren W.F., DiNola A., and Haak J.R. J. Chem. Phys. 81 (1984) 3684