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Assembling Small Fullerenes: A Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

Giulia Gallic ,
Andrew Canning  and
Jeongnim Kim
Giulia Gallic
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.ch
Andrew Canning
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.ch NERSC, Lawrence Berkeley Laboratory, Berkeley CA94720.
Jeongnim Kim
Affiliation:
Department of Physics, The Ohio State University, Columbus OH 43210.
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Abstract

Using tight-binding molecular dynamics, we have performed two series of computer experiments assembling small fullerenes: first, we have simulated the deposition of C28 clusters on a semiconducting surface, and then we have performed calculations mimicking the gas phase growth of a small fullerene solid. The results of the two computations are discussed and compared to those obtained for ordered forms of C28 solids.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 498: Symposium AA – Covalently Bonded Disordered Thin-Film Materials , 1997 , 19
Copyright
Copyright © Materials Research Society 1998

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References

REFERENCES

1. Kroto, H. W., Heath, J. R., O'Brien, S. C., Curi, R. F. and Smalley, R. E., Nature 318, 1744 (1985).Google Scholar
2. For a review see, e.g., Mirkin, C. A. and Caldwell, W. B., Tetrahedron 52, 5113 (1996).Google Scholar
3. See, e.g., ‘Science and Technology of Fullerene Materials, edited by Bernier, P. et al., MRS Symposia Proceedings No. 359 (Materials Research Society, Pittsburgh, 1995); andGoogle Scholar
Benedek, G. and Colombo, L., Materials Science Forum 232, 247 (1996).Google Scholar
4. Paillard, V. et al. Phys. Rev. Lett. 71, 4170 (1993);Google Scholar
Paillard, V. et al. Phys. Rev. B 49, 11433 (1994).Google Scholar
5. Melinon, P. et al., Carbon 32, 1011 (1994);Google Scholar
Paillard, V. et al., NanoStruct. Mater. 4, 759 (1994).Google Scholar
6. Spadoni, S., Colombo, L., Milani, P. and Benedek, G., Europhys. Lett. 39, 269 (1997) and references therein.Google Scholar
7. Cote, M., Grossman, J.C., Cohen, M.L. and Louie, S.G., preprint.Google Scholar
8. Canning, A., Galli, G. and Kim, J., Phys. Rev. Lett. 78, 4442 (1997).Google Scholar
9. Kim, J., Galli, G., Wilkins, J. and Canning, A., J. Chem. Phys. 1997 (in press).Google Scholar
10. Achiba, Y. et al., Materials Science and Engineering B19, 14 (1993).Google Scholar
11. Guo, T. et al, Science 257, 1661 (1992).Google Scholar
12. Kroto, W. H., Nature 359, 529 (1987).Google Scholar
13. Xu, C. et al., J. Phys. Condensed Matter 4, 6047 (1992).Google Scholar
14. For a review see, e.g., Galli, G., Current Opinion in Solid State and Material Science vol. 1 6, 864 (1996).Google Scholar
15. Mauri, F., Galii, G. Phys. Rev. B 50, 4316 (1994).Google Scholar
16. Kim, J., Mauri, F. and Galli, G., Phys. Rev. B 52, 1640 (195).Google Scholar
17. Ordejón, P., Drabold, D., Martin, R. and Grunbach, M., Phys. Rev. B 51, 1456 (1995).Google Scholar
18. Canning, A., Galii, G., Mauri, F., De Vita, A. and Car, R., Comp. Phys. Comm. 94, 89 (1996).Google Scholar
19. Kaxiras, E., Zeger, L. M., Antonelli, A. and Juan, Y-m, Phys. Rev. B 49, 8446 (1994);Google Scholar
Zeger, L. M., Juan, Y-m, Kaxiras, E. and Antonelli, A., Phys. Rev. B 52, 2125 (1995).Google Scholar
20. Ordejon, P. and Galii, G., in preparation.Google Scholar
21. Nosé, S., Mol. Phys. 52, 255 (1984);Google Scholar
Hoover, W., Phys. Rev. A 31, 1695 (1985).Google Scholar
22. (a) Galii, G. and Mauri, F., Phys. Rev. Lett. 73, 3471 (1994);Google Scholar
(b) Galii, G., Canning, A. and Mauri, F., in “Materials Modeling and Design”, Eds. Kumar, Vijay, Sen-gupta, Surajit and Raj, Baldev, “Springer Proceedings in Physics” (Springer Verlag, Heidelberg, 1997).Google Scholar
23. Xu, H., Chen, D. M. and Creager, W. N. Phys. Rev. Lett. 70, 1850 (1993).Google Scholar
24. See, e.g., Computer Simulation of Liquids, edited by Allen, M. P. and Tildesley, D. J., Oxford Science Publications, p. 232.Google Scholar
25. Etherington, G. et al, J. Non-Cryst. Sol 48, 265(1982).Google Scholar