Analysis of the growth mechanism of carbon nanotubes by C2 ingestion

Fullerene Science and Technology

Volumn 7, Issue 2, 1999, Pages 239-262

  Osawa, Eiji ^a   Yoshida, Mitsuho ^a,b   Ueno, Hiroshi ^a,c   Sage, Shin Ichi ^a   Yoshida, Emi ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b DAIICHI SANKYO CO   (Japan)

^c XEROX CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CARBON; CRYSTAL GROWTH; CRYSTAL STRUCTURE; VECTORS;

TUBULAR VECTORS;

NANOTUBES;

EID: 0033096857     PISSN: 1064122X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10641229909350282     Document Type: Article

References (39)

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11. 2a the research activities greatly increased.
12. Dresselhaus, M. S.; Dresselhaus, G.; Eklund, P. C. Science of Fullerenes and Carbon Nanotubes, Academic Press: San Diego; 1996, pp. 785.
13. Tubule is an imaginary SWNT devoid of caps: Hamada, N.; Sawada, S.; Oshima, A. Phys. Rev. Lett. 1992, 68, 1579.
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15. 2 insertion and Stone-Wales rearrangement, is well understood at the atomistic level, primarily because of high reaction temperatures.
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20. 2=7.
21. Analysis on several other types of pentagon pair is in progress and will be published elsewhere.
22. Yoshida, M.; Ōsawa, E. Bull. Chem. Soc. Jpn. 1995, 68, 2073.
23. Cutting and folding of FIG. 2 along the bold line produces a paper model of the cap portion of (6,5) nanotube.
24. In practice, the whole operation is programmed and implemented into the program FULLER, JCPE No. P074, for the net drawing of fullerenes: Ueno, H. B. Eng. Thesis, Toyohishi University of Technology, 1994.
25. → greater than 60° : (Equation Presented) [3] Generation of non-IPR caps is avoided primarily by excluding intercorner distance of I as shown below left. More difficult is the case shown below right. This case may be found by performing the folding operation on the diagram, namely translating the complementary regular triangle 5-6-7 to the line 3-4 and measure the new intercorner distance. (Equation Presented)
26. n, FIG. 2) depends on the relative orientation of two adjacent patches, but not on the size of patch. Therefore, all possible combinations of seven patches had to be examined.
27. Duplicate arises for two reasons: the ignorance of permutation of the raw of five triangles and the choice of central pentagon from which five cuts start. They produce five and six times as many cap structures, respectively, although some of the latter duplicates will be removed by avoiding overlapping of lines as mentioned in the case [2] of footnote 17. It is likely that the unique cap structures will be between 1/5 and 1/30 of the total number given in Table 1.
28. This observation would lead to an interesting possibility of producing a SWNT having inhomogeneous chirality. However, because of our conclusion is rather negative regarding the recurring cap growth mechanism, we refrain from discussing this point further.
29. 1 fragments as depicted in Figs. 6.3b and 6.4 of ref. 4 is chemically unacceptable.
30. 60 is well known. (a) Hansen, K.; Echt, O. Phys. Rev. Lett. 1997, 78, 2337. (b) Deng, R.; Littlefield, G.; Echt, O. Z. Phys. D 1997, 40, 355. (c) Laskin, J.; Lifshitz, C. Israel J. Chem. 1997, 37, 467.
31. 60 is well known. (a) Hansen, K.; Echt, O. Phys. Rev. Lett. 1997, 78, 2337. (b) Deng, R.; Littlefield, G.; Echt, O. Z. Phys. D 1997, 40, 355. (c) Laskin, J.; Lifshitz, C. Israel J. Chem. 1997, 37, 467.
32. 60 is well known. (a) Hansen, K.; Echt, O. Phys. Rev. Lett. 1997, 78, 2337. (b) Deng, R.; Littlefield, G.; Echt, O. Z. Phys. D 1997, 40, 355. (c) Laskin, J.; Lifshitz, C. Israel J. Chem. 1997, 37, 467.
33. Labile nature of the central bond of a pentalene unit has been pointed out: Aihara, J.; Oe, S.; Yoshida, M.; Ōsawa, E. J. Comput. Chem. 1996, 17, 1387.
34. 2 with benzene is unknown to organic chemistry. We have not succeeded in finding transition state for this reaction at the semi-empirical level [Yoshida, M.; Ōsawa, E. unpublished results]. Computational attempts to locate transitioin state of [4+2] cycloaddition of acetylene and ethylene to a hexagonal ring of C60 with STO-3G basis set failed, but the same reaction occurred in a computer at a pentagonal ring: Chikama, A.; Fueno, H.; Fujimoto, H. J. Phys. Chem. 1995, 99, 8541.
35. 2 with benzene is unknown to organic chemistry. We have not succeeded in finding transition state for this reaction at the semi-empirical level [Yoshida, M.; Ōsawa, E. unpublished results]. Computational attempts to locate transitioin state of [4+2] cycloaddition of acetylene and ethylene to a hexagonal ring of C60 with STO-3G basis set failed, but the same reaction occurred in a computer at a pentagonal ring: Chikama, A.; Fueno, H.; Fujimoto, H. J. Phys. Chem. 1995, 99, 8541.
36. (a) Ōsawa, E.; Honda, K. Fullerene Sci. Technol. 1996, 4, 939.
37. (b) Ōsawa, E.; Slanina, Z.; Honda, K.; Zhao, X. Fullerene Sci. Technol. 1998, 6, 259.
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39. (d) Ōsawa, E.; Ueno, H.; Yoshida, M.; Slanina, Z.; Zhao, X.; Nishiyama, M.; Saito, H. J. Chem. Soc., Perkin Trans. 2, 1998, 943.