Abstract
G-band mode is one of the most important Raman modes of single-walled carbon nanotubes (SWCNTs). The vibrational frequency of the mode can be used to characterize SWCNTs. However, analytical expression that can link the frequency to the geometrical parameters of a SWCNT is to date not reported. Based on a molecular mechanics model, the analytical solution is obtained for G-band mode frequency of SWCNTs. The result calculated from the present solutions is in good agreement with the existing experimental and numerical data.
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Iijima, S., Helical microtubules of graphitic carbon. Nature, 1991, 354: 56–58.
Bethune, D.S., Klang, C.H. and de Vries, M.S. et al., Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls. Nature, 1993, 363: 605–607.
Iijima, S. and Ichihashi, T., Single-shell carbon nanotubes of 1 nm diameter. Nature, 1993, 363: 603–605.
Wang, X., Lu, G. and Lu, Y.J., Buckling of embedded multi-walled carbon nanotubes under combined torsion and axial loading. International Journal of Solids and Structures, 2007, 44: 336–351.
Li, H.J. and Guo, W.L., Transversely isotropic elastic properties of single-walled carbon nanotubes by a rectangular beam model for the C-C bonds. Journal of Applied Physics, 2008, 103: 103501.
Wang, Y., Fang, D.N. and Soh, A.K. et al., A molecular mechanics approach for analyzing tensile nonlinear deformation behavior of single-walled carbon nanotubes. Acta Mechanica Sinica, 2007, 23: 663–671.
Sun, C.Q., Liu, K.X. and Lu, G.X., Dynamic torsional buckling of multi-walled carbon nanotubes embedded in an elastic medium. Acta Mechanica Sinica, 2008, 24: 541–547.
Wu, J., Hwang, K.C. and Song, J. et al., Material and structural instabilities of single-wall carbon nanotubes. Acta Mechanica Sinica, 2008, 24: 285–288.
Chang, T. and Gao, H., Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model. Journal of the Mechanics and Physics of Solids, 2003, 51: 1059–1074.
Chang, T., Geng, J. and Guo, X., Chirality- and size-dependent elastic properties of single-walled carbon nanotubes. Applied Physics Letters, 2005, 87: 251929.
Wang, L., Zheng, Q., Liu, J.Z., et al., Size dependence of the thin-shell model for carbon nanotubes. Physical Review Letters, 2005, 95: 105501.
Dresselhaus, M.S., Dresselhaus, G. and Eklund, P., Science of Fullerenes and Carbon Nanotubes. Academic Press, 1996.
Guo, W.L. and Guo, Y.F., The coupled effects of mechanical deformation and electronic properties in carbon nanotubes. Acta Mechanica Sinica, 2004, 20: 192–198.
Heyd, R., Charlier, A. and McRae, E., Uniaxial-stress effects on the electronic properties of carbon nanotubes. Physical Review B, 1997, 55: 6820–6824.
Rochefort, A., Salahub, D.R. and Avouris, P., The effect of structural distortions on the electronic structure of carbon nanotubes. Chemical Physics Letters, 1998, 297: 45–50.
Mazzoni, M.S.C. and Chacham, H., Bandgap closure of a flattened semiconductor carbon nanotube: A first-principles study. Applied Physics Letters, 2000, 76: 1561–1563.
Liu, B., Jiang, H. and Johnson, H.T. et al., The influence of mechanical deformation on the electrical properties of single wall carbon nanotubes. Journal of the Mechanics and Physics of Solids, 2004, 52: 1–26.
Chang, T.C., Hou, J. and Guo, X.M., Reversible mechanical bistability of single-walled carbon nanotubes under axial strain. Applied Physics Letters, 2006, 88: 211906.
Zou, J., Ji, B.H. and Feng, X.Q. et al., Self-assembly of single-walled carbon nanotubes into multiwalled carbon nanotubes in water: Molecular dynamics simulations. Nano Letters, 2006, 6: 430–434.
Mintmire, J.W. and White, C.T., Electronic and structural properties of carbon nanotubes. Carbon, 1995, 33: 893–902.
Chang, T., Explicit solution of the radial breathing mode frequency of single-walled carbon nanotubes. Acta Mechanica Sinica, 2007, 23: 159–162.
Souza, M., Jorio, A. and Fantini, C. et al., Single- and double-resonance Raman G-band processes in carbon nanotubes. Physical Review B, 2004, 69: 241403.
Dresselhaus, M.S. and Eklund, P.C., Phonons in carbon nanotubes. Advances in Physics, 2000, 49: 705–814.
Dresselhaus, M.S., Dresselhaus, G. and Jorio, A. et al., Raman spectroscopy on isolated single wall carbon nanotubes. Carbon, 2002, 40: 2043–2061.
Jorio, A., Pimenta, M.A. and Souza Filho, A.G. et al., Resonance Raman spectra of carbon nanotubes by cross-polarized light. American Physical Society: Physical Review Letters, 2003, 107403.
Jorio, A., Pimenta, M.A. and Fantini, C. et al., Advances in single nanotube spectroscopy: Raman spectra from cross-polarized light and chirality dependence of Raman frequencies. Carbon, 2004, 42: 1067–1069.
Burghard, M., Electronic and vibrational properties of chemically modified single-wall carbon nanotubes. Surface Science Reports, 2005, 58: 1–109.
Chang, T., Radial breathing mode frequency of single-walled carbon nanotubes under strain. Applied Physics Letters, 2008, 93: 061901.
Wang, C.Y., Ru, C.Q. and Mioduchowski, A., Pressure effect on radial breathing modes of multiwall carbon nanotubes. Journal of Applied Physics, 2005, 97: 024310.
Bandow, S., Asaka, S. and Saito, Y. et al., Effect of the growth temperature on the diameter distribution and chirality of single-wall carbon nanotubes. Physical Review Letters, 1998, 80: 3779–3782.
Saito, R., Takeya, T. and Kimura, T. et al. Raman intensity of single-wall carbon nanotubes. Physical Review B, 1998, 57: 4145–4153.
Rao, AM., Richter, E. and Bandow, S. et al., Diameter-selective Raman scattering from vibrational modes in carbon nanotubes. Science, 1997, 275: 187–191.
Henrard, L., Hernandez, E. and Bernier, P. et al., van der Waals interaction in nanotube bundles: Consequences on vibrational modes. Physical Review B, 1999, 60: R8521–R4.
Kahn, D. and Lu, J.P., Vibrational modes of carbon nanotubes and nanoropes. Physical Review B, 1999, 60: 6535.
Kurti, J., Kresse, G. and Kuzmany, H., First-principles calculations of the radial breathing mode of singlewall carbon nanotubes. Physical Review B, 1998, 58: R8869.
Sánchez-Portall, D., Artacho, E. and Soler, J.M., Ab initio structural, elastic, and vibrational properties of carbon nanotubes. Physical Review B, 1999, 59: 12678.
Agrawal, B.K., Agrawal, S. and Srivastava, R., Ab initio study of small diameter (6, 6) armchair carbon nanoropes: Orientational dependent properties. Journal of Physics Condensed Matter, 2003, 15: 6931–6942.
Jishi, R.A., Venkataraman, L. and Dresselhaus, M.S. et al., Phonon modes in carbon nanotubules. Chemical Physics Letters, 1993, 209: 77–82.
Jorio, A., Saito, R. and Hafner, J.H. et al., Structural (n, m) determination of isolated single-wall carbon nanotubes by resonant Raman scattering. Physical Review Letters, 2001, 86: 1118–1121.
Dobardzic, E., Milosevic, I. and Nikolic, B. et al., Single-wall carbon nanotubes phonon spectra: Symmetry-based calculations. Physical Review B, 2003, 68: 045408.
Longhurst, M.J. and Quirke, N., The radial breathing mode of carbon nanotubes. Mol Simulat, 2005, 31: 135–141.
Rao, A.M., Chen, J. and Richter, E. et al., Effect of van der Waals interactions on the Raman modes in single walled carbon nanotubes. Physical Review Letters, 2001, 86: 3895–3898.
Son, H.B., Hori, Y. and Chou, S.G. et al., Environment effects on the Raman spectra of individual singlewall carbon nanotubes: Suspended and grown on polycrystalline silicon. Applied Physics Letters, 2004, 85: 4744–4746.
Izard, N., Riehl, D. and Anglaret, E., Exfoliation of single-wall carbon nanotubes in aqueous surfactant suspensions: A Raman study. Physical Review B, 2005, 71: 195417.
Kurti, J., Zolyomi, V. and Kertesz, M. et al., The geometry and the radial breathing mode of carbon nanotubes: beyond the ideal behaviour. New Journal of Physics, 2003, 5: 125.
Damnjanovic, M., Dobardzic, E and Milosevic, I., Chirality dependence of the radial breathing mode: a simple model. Journal of Physics Condensed Matterr, 2004, 16: L505–L508.
Telg, H., Maultzsch, J. and Reich, S. et al., Chirality distribution and transition energies of carbon nanotubes. Physical Review Letters, 2004, 93: 177401.
Lawler, H.M., Areshkin, D. and Mintmire, J.W. et al., Radial-breathing mode frequencies for single-walled carbon nanotubes of arbitrary chirality: First-principles calculations. Physical Review B, 2005, 72: 233403.
Meyer, J.C., Paillet, M. and Michel, T. et al., Raman modes of index-identified freestanding single-walled carbon nanotubes. Physical Review Letters, 2005, 95: 217401.
Popov, V.N. and Lambin, P., Radius and chirality dependence of the radial breathing mode and the G-band phonon modes of single-walled carbon nanotubes. Physical Review B, 2006, 73: 085407.
Rols, S., Righi, A. and Alvarez, L. et al., Diameter distribution of single wall carbon nanotubes in nanobundles. The European Physical Journal B-Condensed Matter, 2000, 18: 201–205.
Xiao, Y. Li, Z.M. and Yan, X.H. et al., Curvature effect on the radial breathing modes of single-walled carbon nanotubes. Physical Review B, 2005, 71: 233405.
Geng, J.Y. and Chang, T.C., Nonlinear stick-spiral model for predicting mechanical behavior of single-walled carbon nanotubes. Physical Review B, 2006, 74: 245428.
Raravikar, N.R. Keblinski, P. and Rao, A.M. et al., Temperature dependence of radial breathing mode Raman frequency of single-walled carbon nanotubes. Physical Review B, 2002, 66: 235424.
Brown, S.D.M., Jorio, A. and Dresselhaus, M.S. et al., Observations of the D-band feature in the Raman spectra of carbon nanotubes. Physical Review B, 2001, 64: 073403.
Tuinstra, F. and Koenig, J.L., Raman spectrum of graphite. The Journal of Chemical Physics, 1970, 53: 1126–30.
Souza, A.G., Jorio, A. and Samsonidze, G.G. et al. Competing spring constant versus double resonance effects on the properties of dispersive modes in isolated single-wall carbon nanotubes. Physical Review B, 2003, 67: 035427.
Jorio, A., Pimenta, M.A. and Souza, A.G. et al., Characterizing carbon nanotube samples with resonance Raman scattering. New Journal of Physics, 2003, 5: 139.
Jespersen, T.S., Raman Scattering in Carbon Nanotubes Copenhagen. University of Copenhagen, 2003: 185.
Matthews, M.J., Pimenta, M.A. and Dresselhaus, G. et al., Origin of dispersive effects of the Raman D band in carbon materials. Physical Review B, 1999, 59: R6585–R6588.
Kasuya, A., Sasaki, Y. and Saito, Y. et al., Evidence for size-dependent discrete dispersions in single-wall nanotubes. Physical Review Letters, 1997, 78: 4434–4437.
Pimenta, M.A., Marucci, A. and Brown, S.D.M. et al., Resonant Raman effect in single-wall carbon nanotubes. Journal of materials research, 1998, 13: 2396–2404.
Damnjanovic, M., Milosevic, I. and Vukovic, T. et al., Full symmetry, optical activity, and potentials of singlewall and multiwall nanotubes. Physical Review B, 1999, 60: 2728–2739.
Jorio, A., Dresselhaus, G. and Dresselhaus, M.S. et al., Polarized Raman study of single-wall semiconducting carbon nanotubes. Physical Review Letters, 2000, 85: 2617–2620.
Alon, O.E., Number of Raman- and infrared-active vibrations in single-walled carbon nanotubes. Physical Review B, 2001, 63: 201403.
Saito, R., Jorio, A. and Hafner, J.H. et al., Chirality-dependent G-band Raman intensity of carbon nanotubes. Physical Review B, 2001, 64: 085312.
Jorio, A., Souza Filho, A.G. and Dresselhaus, G. et al., G-band resonant Raman study of 62 isolated singlewall carbon nanotubes. Physical Review B, 2002, 65: 155412.
Hiura, H., Ebbesen, T.W. and Tanigaki, K. et al., Raman studies of carbon nanotubes. Chemical Physics Letters, 1993, 202: 509–12.
Brown, S.D.M., Jorio, A. and Corio, P. et al., Origin of the Breit-Wigner-Fano lineshape of the tangential G-band feature of metallic carbon nanotubes. Physical Review B, 2001, 63: 155414.
Chang, T.C., Geng, J.Y. and Guo, X.M., Prediction of chirality- and size-dependent elastic properties of single-walled carbon nanotubes via a molecular mechanics model. Proceedings of the Royal Society A, 2006, 462: 2523–40.
Chang, T., Li, G. and Guo, X., Elastic axial buckling of carbon nanotubes via a molecular mechanics model. Carbon, 2005, 43: 287–294.
Chang, T.C., Guo, W.L. and Guo, X.M., Buckling of multiwalled carbon nanotubes under axial compression and bending via a molecular mechanics model. Physical Review B, 2005, 72: 064101.
Saito, R., Dresselhaus, M.S. and Dresselhaus, G., Physical Properties of Carbon Nanotubes. Imperial College Press, 1998.
Jalalahmadi, B. and Naghdabadi, R., Finite element modeling of single-walled carbon nanotubes with introducing a new wall thickness. Journal of Physics: Conference Series, 2007, 61: 497–502.
Cornell, W.D., Cieplak, P. and Bayly, C.I. et al., A second generation force field for the simulation of proteins, nucleic acids, and organic molecules (vol 117, pg 5179, 1995). Journal of the American Chemical Society, 1996, 118: 2309.
Mayo, S.L., Olafson, B.D. and Goddard, W.A. III, Dreiding: A generic force field for molecular simulations. Journal of Physical Chemistry (USA), 1990, 94: 8897–8909.
Reich, S., Carbon Nanotubes: Vibrational and Electronic Properties. Berlin, 2002: 173.
Thomsen, C. and Reich, S., Raman scattering in carbon nanotubes. Topics in Applied Physics, 2007, 108: 115–235.
Reich, S., Jantoljak, H. and Thomsen, C., Shear strain in carbon nanotubes under hydrostatic pressure. Physical Review B, 2000, 61: R13389–R92.
Wu, G., Zhou, J. and Dong, J., Raman modes of the deformed single-wall carbon nanotubes. Physical Review B, 2005, 72: 115411.
Belin, T. and Epron, F., Characterization methods of carbon nanotubes: A review. Materials Science and Engineering-B, 2005, 119: 105–118.
Wu, G. and Dong, J.M., Raman characteristic peaks induced by the topological defects of carbon nanotube intramolecular junctions. Physical Review B, 2006, 73: 245414.
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Project supported by the National Natural Science Foundation of China (Nos.10872120 and 10732040), Shanghai Shuguang Program (08SG39), Shanghai Rising Star Program (No.09QH1401000), Innovation Program of Shanghai Municipal Education Commission (09ZZ97), and Shanghai Leading Academic Discipline Project (S30106).
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Li, L., Chang, T. Explicit solution for G-band mode frequency of single-walled carbon nanotubes. Acta Mech. Solida Sin. 22, 571–583 (2009). https://doi.org/10.1016/S0894-9166(09)60388-8
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DOI: https://doi.org/10.1016/S0894-9166(09)60388-8