Molecular dynamics and phase transition in one-dimensional crystal of C 60 encapsulated inside single wall carbon nanotubes

ACS Nano

Volumn 3, Issue 12, 2009, Pages 3878-3883

  Abou Hamad, E ^a   Kim, Y ^b   Wagberg T ^c   Boesch, D ^d   Aloni, S ^d   Zettl, A ^d   Rubio, A ^e   Luzzi, D E ^b,f   Goze Bac, C ^a  

^a UNIVERSITÉ MONTPELLIER 2   (France)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

^c UMEÅ UNIVERSITY   (Sweden)

^d LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^e UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^f NORTHEASTERN UNIVERSITY   (United States)

Author keywords

Carbon nanostructures; Dynamical properties; Nuclear magnetic resonance; Phase transition

Indexed keywords

CARBON NANOSTRUCTURES; DYNAMICAL PROPERTIES; DYNAMICAL REGIME; FREEZE OUT; HIGH RESOLUTION; HINDERED ROTATIONS; INNER SURFACES; LINE SHAPE; NMR STUDIES; ONE-DIMENSIONAL CRYSTALS; ORIENTATIONAL DEPENDENCE; RELAXATION RATES; REORIENTATIONAL DYNAMICS; ROOM TEMPERATURE; ROTATIONAL DIFFUSION; SINGLE WALL CARBON NANOTUBES; TEMPERATURE DEPENDENCE;

ACTIVATION ENERGY; CARBON NANOTUBES; MOLECULAR DYNAMICS; NANOSTRUCTURES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RESONANCE; SINGLE-WALLED CARBON NANOTUBES (SWCN);

PHASE TRANSITIONS;

FULLERENE C60; FULLERENE DERIVATIVE; NANOMATERIAL;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; CRYSTALLIZATION; MACROMOLECULE; MATERIALS TESTING; METHODOLOGY; NANOTECHNOLOGY; PARTICLE SIZE; PHASE TRANSITION; SURFACE PROPERTY; ULTRASTRUCTURE;

COMPUTER SIMULATION; CRYSTALLIZATION; FULLERENES; MACROMOLECULAR SUBSTANCES; MATERIALS TESTING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; NANOTECHNOLOGY; PARTICLE SIZE; PHASE TRANSITION; SURFACE PROPERTIES;

EID: 73849150685     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn901128t     Document Type: Article

References (34)

1. Minot, E. D.; Yaish, Y.; Sazonova, V.; McEuen, P. L. Determination of Electron Orbital Magnetic Moments in Carbon Nanotubes. Nature 2004, 428, 536-539.
2. Itkis, M. E.; Niyogi, S.; Meng, M. E.; Hamon, M. A.; Hu, H.; Haddon, R. C. Spectroscopic Study of the Fermi Level Electronic Structure of Single-Walled Carbon Nanotubes. Nano Lett. 2002, 2, 155-159.
3. Saito, R.; Fujita, M.; Dresselhaus, G.; Dresselhaus, M. S. Electronic Structure of Chiral Graphene Tubules. Appl. Phys. Lett. 1992, 60, 2204-2007.
4. Ishii, H.; Kataura, H.; Shiozawa, H.; Yoshioka, H.; Otsubo, H.; Takayama, Y.; Miyahara, T.; Suzuki, S.; Achiba, Y.; Nakatake, M.; et al. Direct Observation of Tomonaga Luttinger Liquid State in Carbon Nanotubes at Low Temperatures. Nature 2003, 426, 540-544.
5. Javey, A.; Guo, J.; Wang, Q.; Lundstrom, M.; Dai, H. Ballistic Carbon Nanotube Field-Effect Transistors. Nature 2003, 424, 654-657.
6. Hornbaker, D. J.; Khang, S. J.; Misra, S.; Smith, B. W.; Johnson, A. T.; Mele, E. J.; Luzzi, D. E.; Yazdani, A. Mapping the One-Dimensional Electronic States of Nanotube Peapod Structures. Science 2002, 295, 828-831.
7. 60 in Carbon Nanotubes. Nature 1998, 396, 323-324.
8. Kolesnikov, A. I.; Zanotti, J. M.; Loong, C. K.; Thiyagarajan, P.; Moravsky, A.; Loutfy, R.; Burnham, C. Anomalously Soft Dynamics of Water in a Nanotube: A Revelation of Nanoscale Confinement. Phys. Rev. Lett. 2004, 93, 35503-35506.
9. 60: Buckminsterfullerene. Nature 1985, 318, 162-163.
10. Dunne, L. J.; Sarkar, A. K.; Kroto, H. W.; Munn, J.; Kathirgamanathan, P.; Heinen, U.; Fernandez, J.; Hare, J.; Reid, D. G.; Clark, A. D. Electrical, Magnetic and Structural Characterization of Fullerene Soots. J. Phys.: Condens. Matter 1996, 8, 2127-2141.
11. Wilson, S. R. In The Fullerene Handbook; Kadish, K., Ruoff R., Eds.; Wiley: New York, 2000.
12. 60. Phys. Rev. Lett. 1991, 66, 2911-2914.
13. 60. Phys. Rev. Lett. 1991, 67, 1886-1889.
14. 60. Phys. Rev. B 1994, 49, 4993-5002.
15. 60. Phys. Rev. B 1993, 48, 1888-1898.
16. Tycko, R.; Haddon, R. C.; Dabbagh, G.; Glarum, S. H.; Douglass, D. C.; Mujsce, A. M. Solid State Magnetic Resonance Spectroscopy of Fullerenes. J. Phys. Chem. 1991, 95, 518-520.
17. Kim, Y.; Luzzi, D. E. Purification of Pulsed Laser Synthesized Single Wall Carbon Nanotubes by Magnetic Filtration. J. Phys. Chem. B 2005, 109, 16636-16643.
18. Kim, Y.; Torrens, O. N.; Kikkawa, J. M.; Abou-Hamad, E.; Goze-Bac, C.; Luzzi, D. E. High Purity Diamagnetic Single Wall Carbon Nanotubes Buckypaper. Chem. Mater. 2007, 19, 2982-2986.
19. 60Dynamics Inside Single-Walled Carbon Nanotubes: NMR Observations. Phys. Rev. B 2008, 77, 75421-75426.
20. 13C NMR Chemical Shifts in Single Walled Carbon Nanotubes with Stone-Wales Defects. J. Phys. Chem. C 2008, 112, 11744-11750.
21. Besley, N. A.; Noble, A. NMR Chemical Shifts of Molecules Encapsulated in Single Walled Carbon Nanotubes. J. Chem. Phys. 2008, 128, 101102-101108.
22. Sebastiani, D.; Kudin, K. N. Electronic Response Properties of Carbon Nanotubes in Magnetic Fields. ACS Nano 2008, 2, 661-668.
23. Zurek, A.; Autschbach, J. NMR Computations for Carbon Nanotubes from First Principles: Present Status and Future Directions. Int. J. Quantum Chem. 2009, 109, 3343-3367.
24. 60 in Carbon Nanopeapods. Phys. Rev. Lett. 2008, 101, 065507-065510.
25. Marques, M.; d'Avezac, M.; Mauri, F. Magnetic Response and NMR Spectra of Carbon Nanotubes from Ab Initio Calculations. Phys. Rev. B 2006, 73, 125433-125438.
26. Goze-Bac, C.; Latil, S.; Lauginie, P.; Jourdain, V.; Conard, J.; Duclaux, L.; Rubio, A.; Bernier, P. Magnetic Interactions in Carbon Nanostructures. Carbon 2002, 40, 1825-1842.
27. Lopez-Urias, F.; Rodriguez-Manzo, J.; Munoz-Sandoval, E.; Terrones, M.; Terrones, H. Magnetic Responses in Finite Carbon Graphene Sheets and Nanotubes. Opt. Mater. 2006, 29, 110-115.
28. 60 in Peapods: Physical Chemistry in Nano Vessels. J. Phys. Chem. C 2009, 113, 8583-8587.
29. Mehring, M. Principles of High Resolution NMR in Solids; Springer-Verlag: Berlin, Heidelberg, NY, 1983.
30. Abragam, A. Principles of Nuclear Magnetism; Oxford Science: New York, 1989.
31. Bloembergen, N.; Purcell, E. M.; Pound, R. V. Relaxation Effects in Nuclear Magnetic Resonance Absorption. Phys. Rev. 1948, 73, 679-712.
32. Rautter, J.; Grupp, A.; Mehring, M.; Alexander, J.; Mullen, K.; Huber, W. Electron Localization and Delocalization in Biselectrophores. Mol. Phys. 1992, 76, 37-45.
33. Girifalco, L. A.; Hodak, M.; Lee, R. S. Carbon Nanotubes, Buckyballs, Ropes, and a Universal Graphitic Potential. Phys. Rev. B 2000, 62, 13104-13110.
34. 60 Molecules Inside (10,10) and (15,15) Nanotube: A Monte Carlo Study. Phys. Rev. B 2003, 68, 085405-085411.