Highly Energetic Collisions of Xe with Fullerene Clusters
Article No.: 18, Pages 1 - 8
Abstract
One subset of the fullerene activities is collision experiments using high energetic inert gases with fullerene clusters. We report on the formation of fullerene oligomers upto (C60)m, m=2-12 following the collisions of 200 keV and 400 keV Xe with (C60)55 fullerene clusters using classical reactive dynamics. A preference for C60+n (n=1-4) fragments was observed after the collision. The sequence of peaks detected in the range C105 - C122 after 1 ns from the collision is comparable with the experimental results. According to the post collisional dynamics, a dimer formed with one cross-link between two fullerenes led to a peanut shaped molecule after 25 ns and a linear trimer has turned into a carbon nanotube like structure after 43 ns. At the ns time scale, more organized carbon molecules as well as big amorphous carbon chunks also remained as collisional products.
References
[1]
G. Adams, M. O'Keeffe, and R. Ruoff. Van der waals surface areas and volumes of fullerenes. J. Phys. Chem., 98:9465--9469, 1994.
[2]
M. P. Allen and D. J. Tildesley. Computer simulation of liquids. Oxford University Press, London, 1987.
[3]
L. Becker, R. Poreda, and T. Bunch. Fullerenes: An extraterrestrial carbon carrier phase for noble gases. Proc. Nat. Acad. Sci. USA, 97(7):2979--2983, 2000.
[4]
H. Cederquist, N. Haag, Z. Berenyi, P. Reinhed, D. Fischer, M. Gudmundsson, H. A. B. Johansson, H. T. Schmidt, and H. Zettergren. Kinetic energy release distributions for C2+ emission from multiply charged C60 and C70 fullerenes. Journal of Physics: Conference Series, 163, 2009.
[5]
H. Cederquist, J. Jensen, H. Schmidt, H. Zettergren, S. Tomita, B. Huber, and B. Manil. Barriers for asymmetric fission of multiply charged C60 fullerenes. Phys. Rev. A, 67(6):062719, 2003.
[6]
S. Cheng, H. G. Berry, R. W. Dunford, H. Esbensen, D. S. Gemmell, E. P. Kanter, T. LeBrun, and W. Bauer. Ionization and fragmentation of C60 by highly charged, high-energy Xenon ions. Phys. Rev. A, 54:3182--3194, 1996.
[7]
A. Glotov, O. Knospe, R. Schmidt, and E. Campbell. Molecular fusion of fullerenes. Eur. Phys. J. D., 16:333--336, 2001.
[8]
N. Haag, Z. Berenyi, P. Reinhed, D. Fischer, M. Gudmundsson, H. A. B. Johansson, H. T. Schmidt, H. Cederquist, and H. Zettergren. Kinetic-energy-release distributions and barrier heights for C2+ emission from multiply charged C60 and C70 fullerenes. Phys. Rev. A, 78(4):043201, 2008.
[9]
S. Irle, G. Zheng, Z. Wang, and K. Morokuma. The C60 formation puzzle "solved": QM/MD simulations reveal the shrinking hot giant road of the dynamic fullerene self-assembly mechanism. J. Phys. Chem. B, 110(30):14531--14545, 2006.
[10]
J. Jakowski, S. Irle, and K. Morokuma. Collision-induced fusion of two C60 fullerenes: Quantum chemical molecular dynamics simulations. Phys. Rev. B, 82:125443, 2010.
[11]
M. Johnson, J. Donnet, T. Wang, C. Wang, R. Locke, B. Brinson, and T. Marriott. A dynamic continuum of nanostructured carbons in the combustion furnace. Carbon, 40(2):189--194, 2002.
[12]
O. Kamalou, B. Manil, H. Lebius, J. Rangama, B. Huber, P. Hvelplund, S. Tomita, J. Jensen, H. Schmidt, H. Zettergren, and H. Cederquist. Fullerene collisions and clusters of fullerenes. Int. J. Mass spectrom., 252(2):117--125, 2006.
[13]
D. S. Klaus. Handbook of nanophysics: Nanomedicine and nanorobotics. CRC Press, 2010.
[14]
H. Kroto, J. Heath, S. O'Brien, R. Curl, and R. Smalley. C60: Buckminsterfullerene. Nature, 314:162--163, 1985.
[15]
S. Lijima. Helical microtubules of graphite carbon. Nature, 354:56--58, 1991.
[16]
S. Martin, L. Chen, A. Salmoun, B. Li, J. Bernard, and R. Brédy. Fragmentation patterns of multicharged C60r+ (r = 3--5) studied with well-controlled internal excitation energy. Phys. Rev. A, 77(10):043201, 2008.
[17]
T. Martin, U. Naher, H. Schaber, and U. Zimmermann. Clusters of fullerene molecules. Phys. Rev. Lett., 70(20):3079--3082, 1993.
[18]
A. J. Page, Y. Ohta, S. Irle, and K. Morokuma. Mechanisms of single-walled carbon nanotube nucleation, growth, and healing determined using QM/MD methods. Acc. Chem. Res., 43(10):1375--1385, 2010.
[19]
F. Seitz, H. Zettergren, P. Rousseau, Y. Wang, T. Chen, M. Gatchell, J. D. Alexander, M. H. Stockett, J. Rangama, J. Y. Chesnel, M. Capron, J. C. Poully, A. Domaracka, A. Mery, S. Maclot, V. Vizcaino, H. T. Schmidt, L. Adoui, M. Alcami, A. G. G. M. Tielens, F. Martin, B. A. Huber, and H. Cederquist. Ions colliding with clusters of fullerenes-decay pathways and covalent bond formations. J. Chem. Phys., 139(3):034309, 2013.
[20]
R. Sen, R. Sumathy, B. Satishkumar, and C. Rao. Investigations of diamond-graphite hybrids and fullerenes with seven-membered rings. J. Mol. Struc., 437(0):11--18, 1997.
[21]
S. Stuart, J. Hicks, and M. Mury. An iterative variable-timestep algorithem for molecular dynamics simulations. Mol. Sim., 29:177--188, 2003.
[22]
S. Stuart, A. Tutein, and J. Harrison. A reactive potential for hydrocarbons with intermolecular interactions. J. Chem. Phys., 12:6472, 2000.
[23]
S. Tomita, J. U. Andersen, C. Gottrup, P. Hvelplund, and U. V. Pedersen. Dissociation energy for C2 loss from fullerene cations in a storage ring. Phys. Rev. Lett., 87:073401--1,073401--4, 2001.
[24]
C. Yeretzian, K. Hansen, F. Diederichi, and R. Whetten. Coalescence reactions of fullerenes. Nature, 359:44--47, 1992.
[25]
H. Zettergren, H. Johansson, H. Schmidt, P. H. T. Jensen, S. Tomita, Y. Wang, F. Martin, M. Alcami, B. Manil, L. Maunoury, B. A. Huber, and H. Cederquist. Magic and hot giant fullerenes formed inside ion irradiated weakly bound C60 clusters. J. Chem. Phys., 133(10):104304, 2010.
[26]
H. Zettergren, P. Rousseau, Y. Wang, F. Seitz, T. Chen, T. M. Gatchell, J. Alexander, M. Stockett, J. R. J. Chesnel, M. Capron, J. Poully, A. Domaracka, A. Mery, S. Maclot, H. Schmidt, L. Adoui, M. Alcami, A. Tielens, F. Martin, B. Huber, and H. Cederquist. Formations of dumbbell C118 and C119 inside clusters of C60 molecules by collision with alpha particles. Phys. Rev. Lett., 110(18):185501, 2013.
[27]
H. Zettergren, H. Schmidt, P. Reinhed, J. J. H. Cederquist, P. Hvelplund, S. Tomita, B. Manil, J. Rangama, and B. Huber. Even-odd effects in the ionization cross sections of (C60)2 and C60C70 dimers. Phys. Rev. A, 75(5):051201, 2007.
[28]
H. Zettergren, H. T. Schmidt, P. Reinhed, H. Cederquist, J. Jesen, P. Hvelplund, S. Tomita, B. Manil, J. Rangama, and B. A. Huber. Stabilities of multiply charged dimers and clusters of fullerenes. J. Chem. Phys., 126(22):224303, 2007.
[29]
H. Zettergren, Y. Wang, A. Lamsabhi, M. Alcami, and F. Martin. Density functional theory study of multiply ionized weakly bound fullerene dimers. J. Chem. Phys., 130(22):224301, 2009.
[30]
G. Zheng, S. Irle, and K. Morokuma. Towards formation of buckminsterfullerene C60 in quantum chemical molecular dynamics. J. Chem. Phys., 122(1):014708, 2005.
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- Highly Energetic Collisions of Xe with Fullerene Clusters
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- NSF: National Science Foundation
- Drexel University
- Indiana University: Indiana University
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Published: 13 July 2014
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XSEDE '14
XSEDE '14: Annual Conference of the Extreme Science and Engineering Discovery Environment
July 13 - 18, 2014
GA, Atlanta, USA
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XSEDE '14 Paper Acceptance Rate 80 of 120 submissions, 67%;
Overall Acceptance Rate 129 of 190 submissions, 68%
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