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Volumn 16, Issue 3, 2008, Pages 186-195

Methane physisorption on single-walled carbon nanotubes: A molecular dynamics study

Author keywords

Methane; Molecular dynamics simulations; Physisorption; Single walled carbon nanotube

Indexed keywords

ADSORPTION; CARBON; CHEMICAL BONDS; COVALENT BONDS; DISTRIBUTION FUNCTIONS; DYNAMICS; METHANE; MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTECHNOLOGY; NANOTUBES; PHYSISORPTION; QUANTUM CHEMISTRY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 47749107899     PISSN: 1536383X     EISSN: 15364046     Source Type: Journal    
DOI: 10.1080/15363830802042654     Document Type: Article
Times cited : (12)

References (38)
  • 1
    • 33644545430 scopus 로고    scopus 로고
    • Optimal conditions for adsorptive storage
    • Bhatia, S.K. and Myers, A.L. (2006) Optimal conditions for adsorptive storage. Langmuir, 22: 1688-1700.
    • (2006) Langmuir , vol.22 , pp. 1688-1700
    • Bhatia, S.K.1    Myers, A.L.2
  • 3
    • 33644970832 scopus 로고    scopus 로고
    • Nanotube-based gas sensors-Role of structural defects
    • (a) Andzelm, J., Govind, N., and Maiti, A. Nanotube-based gas sensors-Role of structural defects. Chemical Physics Letters, 2006, 421: 58-62;
    • (2006) Chemical Physics Letters , vol.421 , pp. 58-62
    • Andzelm, J.1    Govind, N.2    Maiti, A.3
  • 6
    • 1642339997 scopus 로고    scopus 로고
    • Hydrogen storage by physisorption on nanostructured graphite platelets
    • (b) Heins, T., Zhechkov, L., and Seifert, G. (2004) Hydrogen storage by physisorption on nanostructured graphite platelets. Phys. Chem. Chem. Phys., 6: 980-984;
    • (2004) Phys. Chem. Chem. Phys , vol.6 , pp. 980-984
    • Heins, T.1    Zhechkov, L.2    Seifert, G.3
  • 7
    • 0034743136 scopus 로고    scopus 로고
    • Molecular simulation of hydrogen adsorption in graphitic nanofibers
    • (c) Cracknell, R.F. (2001) Molecular simulation of hydrogen adsorption in graphitic nanofibers. Phys. Chem. Chem. Phys., 3: 2091-2097.
    • (2001) Phys. Chem. Chem. Phys , vol.3 , pp. 2091-2097
    • Cracknell, R.F.1
  • 9
    • 33750311818 scopus 로고    scopus 로고
    • Nanoscale tubular vessels for storage of methane at ambient temperatures
    • (b) Kowalczyk, P., Solarz, L., Do, D.O., Samborski, A., and MacElroy, M.D. (2006) Nanoscale tubular vessels for storage of methane at ambient temperatures. Langmuir, 22: 9035-9040;
    • (2006) Langmuir , vol.22 , pp. 9035-9040
    • Kowalczyk, P.1    Solarz, L.2    Do, D.O.3    Samborski, A.4    MacElroy, M.D.5
  • 10
    • 33744483423 scopus 로고    scopus 로고
    • Methane adsorption on multiwalled carbon nanotube at (303.15, 313.15 and 323.15)
    • (c) Lee, W., Kang, H.C., Shim, W.G., Kim, C., and Moon, H. (2006) Methane adsorption on multiwalled carbon nanotube at (303.15, 313.15 and 323.15). J. Chem. Eng. Data, 51: 963-967;
    • (2006) J. Chem. Eng. Data , vol.51 , pp. 963-967
    • Lee, W.1    Kang, H.C.2    Shim, W.G.3    Kim, C.4    Moon, H.5
  • 11
    • 0037196841 scopus 로고    scopus 로고
    • Methane adsorption in single-walled carbon nanotubes arrays by molecular simulation and density functional theory
    • (d) Zhang, X. and Wang, W. (2002) Methane adsorption in single-walled carbon nanotubes arrays by molecular simulation and density functional theory. Fluid Phase Equilibria, 194-197: 289-295.
    • (2002) Fluid Phase Equilibria , vol.194-197 , pp. 289-295
    • Zhang, X.1    Wang, W.2
  • 12
    • 0034805673 scopus 로고    scopus 로고
    • Mechanism of hydrogen sorption in single-walled carbon nanotubes
    • Cheng, H., Pez, G.P., and Cooper, A.C. (2001) Mechanism of hydrogen sorption in single-walled carbon nanotubes. J. Am. Chem. Soc., 123: 5845-5846.
    • (2001) J. Am. Chem. Soc , vol.123 , pp. 5845-5846
    • Cheng, H.1    Pez, G.P.2    Cooper, A.C.3
  • 13
    • 0037427733 scopus 로고    scopus 로고
    • Gas-solid interactions in the hydrogen/single-walled carbon nanotube system
    • Shiraishi, M., Takenobu, T., and Ata, M. (2003) Gas-solid interactions in the hydrogen/single-walled carbon nanotube system. Chemical Physics Letters, 367: 633-636.
    • (2003) Chemical Physics Letters , vol.367 , pp. 633-636
    • Shiraishi, M.1    Takenobu, T.2    Ata, M.3
  • 14
    • 2442430491 scopus 로고    scopus 로고
    • Interaction of methane with carbon nanotube thin films: Role of defects and oxygen adsorption
    • (a) Valentini, L., Armentano, I., Lozzi, L., Santucci, S., and Kenny, M. (2004) Interaction of methane with carbon nanotube thin films: role of defects and oxygen adsorption. Material Science and Engineering C, 24: 527-533;
    • (2004) Material Science and Engineering C , vol.24 , pp. 527-533
    • Valentini, L.1    Armentano, I.2    Lozzi, L.3    Santucci, S.4    Kenny, M.5
  • 15
    • 30344482223 scopus 로고    scopus 로고
    • Doping effects of B and N on hydrogen adsorption in single-walled carbon nanotubes through density functional calculations
    • (b) Zhou, Z., Gao, X., Yan, J., and Song, D. (2006) Doping effects of B and N on hydrogen adsorption in single-walled carbon nanotubes through density functional calculations. Carbon, 44: 939-947.
    • (2006) Carbon , vol.44 , pp. 939-947
    • Zhou, Z.1    Gao, X.2    Yan, J.3    Song, D.4
  • 16
    • 42749104301 scopus 로고    scopus 로고
    • Chemisorption of hydrogen molecules on carbon nanotubes under high pressure
    • Chan, S.P., Chen, G., Gong, X.G., and Liu, Z.F. (2001) Chemisorption of hydrogen molecules on carbon nanotubes under high pressure. Physical Review Letters, 87: 205502.
    • (2001) Physical Review Letters , vol.87 , pp. 205502
    • Chan, S.P.1    Chen, G.2    Gong, X.G.3    Liu, Z.F.4
  • 18
    • 3142695640 scopus 로고    scopus 로고
    • On the control of carbon nanostructures for hydrogen storage applications
    • Guay, P., Stansfield, B.L., and Rochefort, A. (2004) On the control of carbon nanostructures for hydrogen storage applications. Carbon, 42: 2187-2193.
    • (2004) Carbon , vol.42 , pp. 2187-2193
    • Guay, P.1    Stansfield, B.L.2    Rochefort, A.3
  • 19
    • 15544363600 scopus 로고    scopus 로고
    • Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single-walled carbon nanotubes
    • Cheng, H., Cooper, A.C., Pez, G.P., Kostov, M.K., Piotrowski, P., and Stuart, S.J. (2005) Molecular dynamics simulations on the effects of diameter and chirality on hydrogen adsorption in single-walled carbon nanotubes. J. Phys. Chem. B, 109: 3780-3786.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 3780-3786
    • Cheng, H.1    Cooper, A.C.2    Pez, G.P.3    Kostov, M.K.4    Piotrowski, P.5    Stuart, S.J.6
  • 20
    • 0037122611 scopus 로고    scopus 로고
    • Hydrogen storage in carbon nanotubes and graphitic nanofibers
    • (a) Simonyan, V.V. and Johnson, J.K. (2002) Hydrogen storage in carbon nanotubes and graphitic nanofibers. Journal of Alloys and Compounds, 330: 659-665;
    • (2002) Journal of Alloys and Compounds , vol.330 , pp. 659-665
    • Simonyan, V.V.1    Johnson, J.K.2
  • 21
    • 4444340923 scopus 로고    scopus 로고
    • Theoretical study of the contribution of physisorption to the low-pressure adsorption of hydrogen on carbon nanotubes
    • (b) Melancon, E. and Benard, P. (2004) Theoretical study of the contribution of physisorption to the low-pressure adsorption of hydrogen on carbon nanotubes. Langmuir, 20: 7852-7859.
    • (2004) Langmuir , vol.20 , pp. 7852-7859
    • Melancon, E.1    Benard, P.2
  • 22
    • 0347931709 scopus 로고    scopus 로고
    • Computational modeling of thermo-mechanical and.transport properties of carbon nanotubes
    • Rafii-Tabar, H. (2004) Computational modeling of thermo-mechanical and.transport properties of carbon nanotubes. Phys. Rep., 390: 235-452.
    • (2004) Phys. Rep , vol.390 , pp. 235-452
    • Rafii-Tabar, H.1
  • 23
    • 4644295122 scopus 로고    scopus 로고
    • Optimum diameter of small single-walled carbon tori
    • Zhao, S., Zhang, S., Xia, M., Zhang, E., and Zuo, X. (2004) Optimum diameter of small single-walled carbon tori. Physics Letters A, 331: 238-243.
    • (2004) Physics Letters A , vol.331 , pp. 238-243
    • Zhao, S.1    Zhang, S.2    Xia, M.3    Zhang, E.4    Zuo, X.5
  • 24
    • 17844374312 scopus 로고    scopus 로고
    • Structural and thermal stability of narrow and short carbon nanotubes and nanostrips
    • Lopez, M.J., Cabria, I., March, N.H., and Aloso, J.A. (2005) Structural and thermal stability of narrow and short carbon nanotubes and nanostrips. Carbon, 43: 1371-1377.
    • (2005) Carbon , vol.43 , pp. 1371-1377
    • Lopez, M.J.1    Cabria, I.2    March, N.H.3    Aloso, J.A.4
  • 25
    • 1642368812 scopus 로고    scopus 로고
    • Curvature effect in ultra-small single-walled carbon.nanotubes
    • Li, I.L. and Tang, Z.K. (2004) Curvature effect in ultra-small single-walled carbon.nanotubes. Applied Surface Science, 226: 72-77.
    • (2004) Applied Surface Science , vol.226 , pp. 72-77
    • Li, I.L.1    Tang, Z.K.2
  • 26
    • 41549139903 scopus 로고    scopus 로고
    • Influence of carbon curvature on molecular adsorptions in carbon-based materials: A force field approach
    • Kostov, M.K., Cheng, H., Cooper, A.C., and Pez, G.P. (2002) Influence of carbon curvature on molecular adsorptions in carbon-based materials: A force field approach. Physical Review Letters, 89: 146105.
    • (2002) Physical Review Letters , vol.89 , pp. 146105
    • Kostov, M.K.1    Cheng, H.2    Cooper, A.C.3    Pez, G.P.4
  • 27
    • 36549076600 scopus 로고    scopus 로고
    • Molecular dynamics simulations on the effect of temperature and loading in H2 exohedral adsorption on (3, 3) and (9, 9) SWCNTs
    • Zolfaghari, A., Hashemi, F., Pourhossein, P., and Jooya, H.Z. (2007) Molecular dynamics simulations on the effect of temperature and loading in H2 exohedral adsorption on (3, 3) and (9, 9) SWCNTs. Int. J Hydrogen Energy, 32: 4889-4893.
    • (2007) Int. J Hydrogen Energy , vol.32 , pp. 4889-4893
    • Zolfaghari, A.1    Hashemi, F.2    Pourhossein, P.3    Jooya, H.Z.4
  • 28
    • 27744577658 scopus 로고
    • Modeling solid-state chemistry: Interatomic potentials for multi component systems
    • Tersoff, J. (1989) Modeling solid-state chemistry: Interatomic potentials for multi component systems. Phys. Rev. B, 39: 5566-5568.
    • (1989) Phys. Rev. B , vol.39 , pp. 5566-5568
    • Tersoff, J.1
  • 29
    • 0035497685 scopus 로고    scopus 로고
    • Molecular dynamics study of atomic structure and diffusion behavior in amorphous silicon nitride containing boron
    • Matsunaga, K. and Iwamoto, Y. (2001) Molecular dynamics study of atomic structure and diffusion behavior in amorphous silicon nitride containing boron. J. Am. Ceram. Soc., 84: 2213-2219.
    • (2001) J. Am. Ceram. Soc , vol.84 , pp. 2213-2219
    • Matsunaga, K.1    Iwamoto, Y.2
  • 30
    • 0004165039 scopus 로고    scopus 로고
    • Smith, W. and Forester, T. R, eds, Copyright CCLRC for the Central Laboratory of the Research Councils, Daresbury Laboratory at Daresbury, Nr. Warrington
    • Smith, W. and Forester, T. R. (eds). (1996) DL_POL Y is a Package of Molecular Simulation Routines. Copyright CCLRC for the Central Laboratory of the Research Councils, Daresbury Laboratory at Daresbury, Nr. Warrington.
    • (1996) DL_POL Y is a Package of Molecular Simulation Routines
  • 33
    • 0038784473 scopus 로고    scopus 로고
    • Density functional study of hydrogen adsorption at low temperatures
    • Gu, C., Gao, G.H., and Yu, Y.X. (2003) Density functional study of hydrogen adsorption at low temperatures. Journal of Chemical Physics, 119: 488-495.
    • (2003) Journal of Chemical Physics , vol.119 , pp. 488-495
    • Gu, C.1    Gao, G.H.2    Yu, Y.X.3
  • 34
    • 0042946634 scopus 로고    scopus 로고
    • Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores
    • Wang, Q. and Johnson, J.K. (1999) Molecular simulation of hydrogen adsorption in single-walled carbon nanotubes and idealized carbon slit pores. Journal of Chemical Physics, 110: 577-586.
    • (1999) Journal of Chemical Physics , vol.110 , pp. 577-586
    • Wang, Q.1    Johnson, J.K.2
  • 35
    • 0034499690 scopus 로고    scopus 로고
    • Molecular simulations of hydrogen storage in carbon nanotube arrays
    • Yin, Y.F., Mays, T., and McEnaney, B. (2000) Molecular simulations of hydrogen storage in carbon nanotube arrays. Langmuir, 16: 10521-10527.
    • (2000) Langmuir , vol.16 , pp. 10521-10527
    • Yin, Y.F.1    Mays, T.2    McEnaney, B.3
  • 37
    • 20144374798 scopus 로고    scopus 로고
    • Enhancement of hydrogen physisorption on single-walled carbon nanotubes resulting from defects created by carbon bombardment
    • Xia, Y., Zhu, J.Z., Zhao, M., Li, F., Huang, B., Ji, Y., Liu, X., Tan, Z., Song, C., and Yin, Y. (2005) Enhancement of hydrogen physisorption on single-walled carbon nanotubes resulting from defects created by carbon bombardment. Physical Review B, 71: 075412.
    • (2005) Physical Review B , vol.71 , pp. 075412
    • Xia, Y.1    Zhu, J.Z.2    Zhao, M.3    Li, F.4    Huang, B.5    Ji, Y.6    Liu, X.7    Tan, Z.8    Song, C.9    Yin, Y.10
  • 38
    • 0000789246 scopus 로고    scopus 로고
    • Structural modification of single-layer carbon nanotubes with an electron beam
    • Kiang, C.H., Goddard, W.A., Beyers, R., and Bethune, D.S. (1996) Structural modification of single-layer carbon nanotubes with an electron beam. J. Phys. Chem., 100: 3749-3752.
    • (1996) J. Phys. Chem , vol.100 , pp. 3749-3752
    • Kiang, C.H.1    Goddard, W.A.2    Beyers, R.3    Bethune, D.S.4


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