Model narrow nanotubes related to C36, C32 and C20: Initial computational structural sampling

Materials Science and Engineering: B

Volumn 96, Issue 2, 2002, Pages 164-168

  Slanina, Zdeněk ^a   Zhao, Xiang ^b   Uhlík, Filip ^c  

^a INSTITUTE OF CHEMISTRY   (Taiwan)

^b TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^c CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; CRYSTAL SYMMETRY; FULLERENES; SAMPLING; STOICHIOMETRY;

STRUCTURAL SAMPLING;

CARBON NANOTUBES;

EID: 0036840635     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0921-5107(02)00312-4     Document Type: Conference Paper

References (31)

1. Sun L.F., Xie S.S., Liu W., Zhou W.Y., Liu Z.Q., Tang D.S., Wang G., Qian L.X. Nature. 403:2000;384.
2. Qin L.C., Zhao X.L., Hirahara K., Miyamoto Y., Ando Y., Iijima S. Nature. 408:2000;50.
3. Wang N., Tang Z.K., Li G.D., Chen J.S. Nature. 408:2000;50.
4. Piskoti C., Yarger J., Zettl A. Nature. 393:1998;771.
5. Prinzbach H., Weller A., Landenberger P., Wahl F., Worth J., Scott L.T., Gelmont M., Olevano D., von Issendorff B. Nature. 407:2000;60.
6. Wang Z., Ke X., Zhu Z., Zhu F., Ruan M., Chen H., Huang R., Zheng L. Phys. Lett. A280:2001;351.
7. Slanina Z., Uhlík F., Zhao X., Osawa E. J. Chem. Phys. 113:2000;4933.
8. Stewart J.J.P. J. Comput. Chem. 10:1989;209.
9. Dewar M.J.S., Jie C., Yu J. Tetrahedron. 49:1993;5003.
10. AMPAC 6.0, Semichem, Shavnee, KS (1997).
11. Hehre W.J., Burke L.D., Schusterman A.J. SPARTAN, Release 3.1.8. 1993;Wavefunction, Irvine.
12. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzalez C., Pople J.A. GAUSSIAN 94, Revision E.2. 1995;Gaussian, Pittsburgh, PA.
13. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A. Jr., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., Pople J.A. GAUSSIAN 98, Revision A.5. 1998;Gaussian, Pittsburgh, PA.
14. Zhao X., Slanina Z., Ozawa M., Osawa E., Deota P., Tanabe K. Fullerene Sci. Technol. 8:2000;595.
15. Zhu H.-Y., Klein D.J., Seitz W.A., March N.H. Inorg. Chem. 34:1995;1377.
16. Sun M.-L., Slanina Z., Lee S.-L. Chem. Phys. Lett. 233:1995;279.
17. Slanina Z., Sun M.-L., Lee S.-L. J. Mol. Struct. (Theochem.). 334:1995;229.
18. Rubio A., Corkill J.L., Cohen M.L. Phys. Rev. B49:1994;5081.
19. Loiseau A., Willaime F., Demoncy N., Schramchenko N., Hug G., Colliex C., Pascard H. Carbon. 36:1998;743.
20. Golberg D., Bando Y., Stéphan O., Kurashimna K. Appl. Phys. Lett. 73:1998;2441.
21. Cioslowski J. Electronic Structure Calculations on Fullerenes and Their Derivatives. 1995;Oxford University Press, Oxford.
22. Slanina Z., Lee S.-L. Fullerene Sci. Technol. 3:1995;151.
23. Saito R., Dresselhaus G., Dresselhaus M.S. Physical Properties of Carbon Nanotubes. 1998;Imperial College Press, London.
24. Diederich F., Whetten R.L., Thilgen C., Ettl R., Chao I., Alvarez M.M. Science. 254:1991;1768.
25. Kikuchi K., Nakahara N., Wakabayashi T., Suzuki S., Shiromaru H., Miyake Y., Saito K., Ikemoto I., Kainosho M., Achiba Y. Nature. 357:1992;142.
26. Taylor R., Langley G.J., Avent A.G., Dennis T.J.S., Kroto H.W., Walton D.R.M. J. Chem. Soc., Perkin Trans. 2:1993;1029.
27. K. Yamamoto, Abstract no. 1489, The 200th ECS Meeting, ECS, San Francisco, 2001.
28. Slanina Z., François J.-P., Bakowies D., Thiel W. J. Mol. Struct. (Theochem.). 279:1993;213.
29. Slanina Z., Zhao X., Deota P., Osawa E. Radish K.M., Ruoff R.S., Fullerenes: Chemistry, Physics, and Technology. 2000;283 Wiley, New York.
30. Slanina Z., Zhao X., Grabuleda X., Ozawa M., Uhlík F., Ivanov P.M., Kobayashi K., Nagase S. J. Mol. Graphics Mod. 19:2001;252.
31. Uhlík F., Slanina Z., Osawa E. Eur. Phys. J. D16:2001;349.