A Monte Carlo study of C70 molecular motion in C 70@SWCNT peapods

Carbon

Volumn 49, Issue 6, 2011, Pages 2007-2021

  Verberck, B ^a,b   Cambedouzou, J ^b   Vliegenthart, G A ^c   Gompper, G ^c   Launois, P ^b  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b UNIVERSITÉ PARIS SUD   (France)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HARD-SPHERE; HARMONIC CHAIN; MOLECULAR MOTIONS; MONTE CARLO SIMULATION; MONTE CARLO STUDY; ONE-DIMENSIONAL MODEL; PAIR CORRELATION FUNCTIONS; PEA PODS; PHYSICAL REALIZATION; TRANSLATIONAL MOTIONS; TUBE DIAMETERS;

COMPUTER SIMULATION; HARMONIC FUNCTIONS; MOLECULAR ORIENTATION; SINGLE-WALLED CARBON NANOTUBES (SWCN); SPHERES;

MONTE CARLO METHODS;

EID: 79951954409     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2011.01.027     Document Type: Article

References (51)

1. 60 in carbon nanotubes Nature 396 1998 323 324
2. H. Kataura, Y. Maniwa, T. Kodama, K. Kikuchi, H. Hirahara, and K. Suenaga High-yield fullerene encapsulation in single-wall carbon nanotubes Synth Met 121 1-3 2001 1195 1196 (Pubitemid 32486127)
3. K. Hirahara, S. Bandow, K. Suenaga, H. Kato, T. Okazaki, and H. Shinohara Electron diffraction study of one-dimensional crystals of fullerenes Phys Rev B 64 11 2001 115420.1 115420.5 (Pubitemid 32885369)
4. S. Bandow, M. Takizawa, H. Kato, T. Okazaki, H. Shinohara, and S. Iijima Smallest limit of tube diameters for encasing of particular fullerenes determined by radial breathing mode Raman scattering Chem Phys Lett 347 1-3 2001 23 28 (Pubitemid 33642332)
5. J. Sloan, A.I. Kirkland, J.L. Hutchison, and M.L.H. Green Integral atomic layer architectures of 1D crystals inserted into single walled carbon nanotubes Chem Commun 13 2002 1319 1332 (Pubitemid 34651789)
6. O. Vostrowsky, and A. Hirsch Molecular peapods as supramolecular carbon allotropes Angew Chem Int Ed 43 18 2004 2326 2329 (Pubitemid 39257730)
7. M. Monthioux, E. Flahaut, and J.-P. Cleuziou Hybrid carbon nanotubes: strategy, progress, and perspectives J Mater Res 21 11 2006 2774 2793 (Pubitemid 44816707)
8. R. Kitaura, and H. Shinohara Carbon-nanotube-based hybrid materials: nanopeapods Chem Asian J 1 5 2006 646 655 (Pubitemid 44861368)
9. A.N. Khlobystov, D.A. Britz, and G.A.D. Briggs Molecules in carbon nanotubes Acc Chem Res 38 12 2005 901 909
10. G.T. Pickett, M. Gross, and H. Okuyama Spontaneous chirality in simple systems Phys Rev Lett 85 17 2000 3652 3655
11. M. Hodak, and L.A. Girifalco Ordered phases of fullerene molecules formed inside carbon nanotubes Phys Rev B 67 7 2003 075419.1 075419.4
12. 78 inside carbon nanotubes Nano Lett 5 2 2005 349 355 (Pubitemid 40308296)
13. A.N. Khlobystov, D.A. Britz, A. Ardavan, and G.A.D. Briggs Observation of ordered phases of fullerenes in carbon nanotubes Phys Rev Lett 92 24 2004 244507.1 244507.3
14. 60 peapods Eur Phys J B 42 1 2004 31 45
15. 70 molecules in peapods as a function of the nanotube diameter Phys Rev B 75 3 2007 035416.1 035416.11
16. 60 molecules in carbon nanotubes Phys Rev Lett 95 18 2005 185506.1 185506.4
17. 60 molecules in carbon nanotubes Eur Phys J B 48 1 2005 113 124 (Pubitemid 41818782)
18. 60 molecules in carbon nanotubes: atomistic versus continuous approach Phys Rev B 74 4 2006 045421.1 045421.14
19. 70 molecules in carbon nanotubes Phys Rev B 75 4 2007 045419.1 045419.14
20. 70 molecules in carbon nanotubes Int J Quantum Chem 107 13 2007 2294 2319 (Pubitemid 47398796)
21. 60 in carbon nanopeapods Phys Rev Lett 101 6 2008 065507.1 065507.4
22. 70 in carbon nanotubes Appl Phys Lett 84 5 2004 792 794
23. 70s encapsulated in carbon nanotubes with different diameters Solid State Commun 133 5 2005 333 336 (Pubitemid 40061281)
24. 60 dynamics inside single-walled carbon nanotubes: NMR observations Phys Rev B 77 7 2008 075421.1 075421.6
25. 60 encapsulated inside single wall carbon nanotubes ACS Nano 3 12 2009 3878 3883
26. E. Hernandez, V. Meunier, B.W. Smith, R. Rurali, H. Terrones, and M. Buongiorno Nardelli Fullerene coalescence in nanopeapods: a path to novel tubular carbon Nano Lett 3 8 2003 1037 1042 (Pubitemid 37289291)
27. I. Suarez-Martinez, P.J. Higginbottom, and N.A. Marks Molecular dynamics simulations of the transformation of carbon peapods into double-walled carbon nanotubes Carbon 48 12 2010 3592 3598
28. B.W. Smith, and D.E. Luzzi Formation mechanism of fullerene peapods and coaxial tubes: a path to large scale synthesis Chem Phys Lett 321 1-2 2000 169 174
29. S. Bandow, M. Takizawa, K. Hirahara, M. Yudasaka, and S. Iijma Raman scattering study of double-wall carbon nanotubes derived from the chains of fullerenes in single-wall carbon nanotubes Chem Phys Lett 337 1-3 2001 48 54 (Pubitemid 33631220)
30. R. Pfeiffer, T. Pichler, Y.A. Kim, and H. Kuzmany Double-wall carbon nanotubes Top Appl Phys 111 2008 495 530
31. 70 peapods into double walled carbon nanotubes Carbon 48 1 2010 89 98
32. D. Frenkel, and B. Smit Understanding molecular simulation: from algorithms to applications 2nd ed. 2002 Academic New York
33. K. Binder, and D. Landau A guide to Monte Carlo simulations in statistical physics 2nd ed. 2005 Cambridge University Cambridge
34. H. Kataura, Y. Maniwa, M. Abe, A. Fujiwara, T. Kodama, and K. Kikuchi Optical properties of fullerene and non-fullerene peapods Appl Phys A: Mater Sci Process 74 3 2002 349 354 (Pubitemid 34268683)
35. 70: predictions from computer simulation Phys Rev Lett 69 11 1992 1660 1663
36. 70 Phys Rev B 52 21 1995 15279 15290
37. 70 fullerene Chem Phys Lett 223 3 1994 143 148
38. N. Hamada, S. Sawada, and A. Oshiyama New one-dimensional conductors: graphitic microtubules Phys Rev Lett 68 10 1992 1579 1581
39. D.H. Robertson, D.W. Brenner, and J.W. Mintmire Energetics of nanoscale graphitic tubules Phys Rev B 45 21 1992 12592 12595
40. R. Saito, G. Dresselhaus, and M.S. Dresselhaus Physical properties of carbon nanotubes 1998 Imperial College London
41. S. Reich, C. Thomsen, and J. Maultzsch Carbon nanotubes 2004 Weinheim Wiley-VCH
42. Ph. Lambin, A. Loiseau, M. Monthioux, and J. Thibault A. Loiseau, P. Launois, P. Petit, S. Roche, J.-P. Salvetat, Understanding carbon nanotubes 2006 Springer Berlin 131 198
43. 60 in a carbon nanotube Phys Rev Lett 86 17 2001 3835 3838 (Pubitemid 32425346)
44. 60 fullerene-cubane J Chem Phys 130 15 2009 154510.1 154510.4
45. A. Guinier X-ray diffraction in crystals, imperfect crystals, and amorphous bodies 1994 Dover New York P. 9.1
46. F. Zernike, and J.A. Prins Die Beugung von Röntgenstrahlen in Flüssigkeiten als Effekt der Molekülanordnung Z Phys 41 6-7 1927 184 194
47. L.D. Landau, and E.M. Lifshitz Statistische Physik, Teil 1 1987 Akademie Verlag Berlin [chapter VII]
48. 70 New J Phys 5 1 2003 122.1 122.11
49. 70 J Am Chem Soc 132 43 2010 15252 15258
50. F. Simon, Ch. Kramberger, R. Pfeiffer, H. Kuzmany, V. Zólyomi, and J. Kürti Isotope engineering of carbon nanotube systems Phys Rev Lett 95 1 2005 017401.1 017401.4
51. 80 fullerenes and their rotation inside carbon nanotubes demonstrated by aberration-corrected electron microscopy Nano Lett 12 7 2007 3704 3708