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Volumn 39, Issue 18, 2014, Pages 9825-9829

Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage

Author keywords

CNT network; Grand canonical monte carlo simulations; Hydrogen storage; Porous carbon based material; Super diamond

Indexed keywords

DIAMONDS; HYDROGEN STORAGE; MONTE CARLO METHODS; NETWORK ARCHITECTURE; POROUS MATERIALS;

EID: 84902250013     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2014.03.011     Document Type: Article
Times cited : (30)

References (43)
  • 3
    • 14744278744 scopus 로고    scopus 로고
    • Sorption properties of carbon nanostructures
    • A.V. Eletskiî Sorption properties of carbon nanostructures Phys - Uspekhi 47 2004 1119 1154
    • (2004) Phys - Uspekhi , vol.47 , pp. 1119-1154
    • Eletskiî, A.V.1
  • 4
    • 33846971284 scopus 로고    scopus 로고
    • Enhanced hydrogen storage capacity of high surface area zeolite-like carbon materials
    • Z. Yang, Y. Xia, and R. Mokaya Enhanced hydrogen storage capacity of high surface area zeolite-like carbon materials J Am Chem Soc 129 2007 1673 1679
    • (2007) J Am Chem Soc , vol.129 , pp. 1673-1679
    • Yang, Z.1    Xia, Y.2    Mokaya, R.3
  • 6
    • 23044451308 scopus 로고    scopus 로고
    • Strategies for hydrogen storage in metal-organic frameworks
    • J.L.C. Rowsell, and O.M. Yaghi Strategies for hydrogen storage in metal-organic frameworks Angew Chem Int Ed Engl 44 2005 4670 4679
    • (2005) Angew Chem Int Ed Engl , vol.44 , pp. 4670-4679
    • Rowsell, J.L.C.1    Yaghi, O.M.2
  • 8
    • 22044442967 scopus 로고    scopus 로고
    • Nanotechnological aspects in materials for hydrogen storage
    • M. Fichtner Nanotechnological aspects in materials for hydrogen storage Adv Eng Mater 7 2005 443 455
    • (2005) Adv Eng Mater , vol.7 , pp. 443-455
    • Fichtner, M.1
  • 9
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • S. Iijima Helical microtubules of graphitic carbon Nature 354 1991 56 58
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 11
    • 0033527691 scopus 로고    scopus 로고
    • Hydrogen storage in single-walled carbon nanotubes at room temperature
    • C. Liu, Y.Y. Fan, M. Liu, H.T. Cong, H.M. Cheng, and M.S. Dresselhaus Hydrogen storage in single-walled carbon nanotubes at room temperature Science 286 1999 1127 1129
    • (1999) Science , vol.286 , pp. 1127-1129
    • Liu, C.1    Fan, Y.Y.2    Liu, M.3    Cong, H.T.4    Cheng, H.M.5    Dresselhaus, M.S.6
  • 12
    • 0032622265 scopus 로고    scopus 로고
    • Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes
    • Y. Ye, C.C. Ahn, C. Witham, B. Fultz, J. Liu, and A.G. Rinzler et al. Hydrogen adsorption and cohesive energy of single-walled carbon nanotubes Appl Phys Lett 74 1999 2307 2309
    • (1999) Appl Phys Lett , vol.74 , pp. 2307-2309
    • Ye, Y.1    Ahn, C.C.2    Witham, C.3    Fultz, B.4    Liu, J.5    Rinzler, A.G.6
  • 13
    • 0042890410 scopus 로고    scopus 로고
    • Materials for hydrogen storage
    • A. Züttel Materials for hydrogen storage Mater Today 6 2003 24
    • (2003) Mater Today , vol.6 , pp. 24
    • Züttel, A.1
  • 14
    • 0043065366 scopus 로고    scopus 로고
    • Hydrogen interaction with carbon nanostructures: Current situation and future prospects
    • S. Orimo, A. Züttel, L. Schlapbach, G. Majer, T. Fukunaga, and H. Fujii Hydrogen interaction with carbon nanostructures: current situation and future prospects J Alloys Compd 356 2003 716 719
    • (2003) J Alloys Compd , vol.356 , pp. 716-719
    • Orimo, S.1    Züttel, A.2    Schlapbach, L.3    Majer, G.4    Fukunaga, T.5    Fujii, H.6
  • 15
  • 16
    • 84863011015 scopus 로고    scopus 로고
    • Metal-organic frameworks for separations
    • J.R. Li, J. Sculley, and H.C. Zhou Metal-organic frameworks for separations Chem Rev 112 2012 869 932
    • (2012) Chem Rev , vol.112 , pp. 869-932
    • Li, J.R.1    Sculley, J.2    Zhou, H.C.3
  • 17
    • 67649199760 scopus 로고    scopus 로고
    • Carbon nanotube in different shapes
    • M. Zhang, and J. Li Carbon nanotube in different shapes Mater Today 12 2009 12 20
    • (2009) Mater Today , vol.12 , pp. 12-20
    • Zhang, M.1    Li, J.2
  • 18
    • 35848931006 scopus 로고    scopus 로고
    • Reticular synthesis of microporous and mesoporous 2D covalent organic frameworks
    • A.P. Côté, H.M. El-Kaderi, H. Furukawa, J.R. Hunt, and O.M. Yaghi Reticular synthesis of microporous and mesoporous 2D covalent organic frameworks J Am Chem Soc 129 2007 12914 12915
    • (2007) J Am Chem Soc , vol.129 , pp. 12914-12915
    • Côté, A.P.1    El-Kaderi, H.M.2    Furukawa, H.3    Hunt, J.R.4    Yaghi, O.M.5
  • 19
    • 53949110304 scopus 로고    scopus 로고
    • Adsorption and diffusion of hydrogen and methane in 2D covalent organic frameworks
    • G. Garberoglio, and R. Vallauri Adsorption and diffusion of hydrogen and methane in 2D covalent organic frameworks Microp Mesop Mater 116 2008 540 547
    • (2008) Microp Mesop Mater , vol.116 , pp. 540-547
    • Garberoglio, G.1    Vallauri, R.2
  • 21
    • 36649008713 scopus 로고    scopus 로고
    • Computer simulation of the adsorption of light gases in covalent organic frameworks
    • G. Garberoglio Computer simulation of the adsorption of light gases in covalent organic frameworks Langmuir 23 2007 12154 12158
    • (2007) Langmuir , vol.23 , pp. 12154-12158
    • Garberoglio, G.1
  • 22
    • 48949120696 scopus 로고    scopus 로고
    • Hydrogen storage in 3D covalent organic frameworks. A multiscale theoretical investigation
    • E. Klontzas, E. Tylianakis, and G.E. Froudakis Hydrogen storage in 3D covalent organic frameworks. A multiscale theoretical investigation J Phys Chem C 112 2008 9095 9098
    • (2008) J Phys Chem C , vol.112 , pp. 9095-9098
    • Klontzas, E.1    Tylianakis, E.2    Froudakis, G.E.3
  • 23
    • 2642579139 scopus 로고    scopus 로고
    • A 2D metal-organic framework with two different rhombus-shaped cavities: A rare example of a (4,4)-net with alternating metal and organic nodes
    • G.S. Papaefstathiou, C. Milios, and L.R. MacGillivray A 2D metal-organic framework with two different rhombus-shaped cavities: a rare example of a (4,4)-net with alternating metal and organic nodes Microp Mesop Mater 71 2004 11 15
    • (2004) Microp Mesop Mater , vol.71 , pp. 11-15
    • Papaefstathiou, G.S.1    Milios, C.2    Macgillivray, L.R.3
  • 24
    • 26844452274 scopus 로고    scopus 로고
    • Design and construction of a 2D metal organic framework with multiple cavities: A nonregular net with a paracyclophane that codes for multiply fused nodes
    • G.S. Papaefstathiou, C. Friscic, and L.R. MacGillivray Design and construction of a 2D metal organic framework with multiple cavities: a nonregular net with a paracyclophane that codes for multiply fused nodes J Am Chem Soc 127 2005 14160 14161
    • (2005) J Am Chem Soc , vol.127 , pp. 14160-14161
    • Papaefstathiou, G.S.1    Friscic, C.2    Macgillivray, L.R.3
  • 25
    • 0037127013 scopus 로고    scopus 로고
    • Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
    • M. Eddaoudi, J. Kim, N. Rosi, D. Vodak, J. Wachter, and M. O'Keeffe et al. Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage Science 295 2002 469 472
    • (2002) Science , vol.295 , pp. 469-472
    • Eddaoudi, M.1    Kim, J.2    Rosi, N.3    Vodak, D.4    Wachter, J.5    O'Keeffe, M.6
  • 26
    • 70349396083 scopus 로고    scopus 로고
    • Enhancement of hydrogen adsorption in metal-organic frameworks by the incorporation of the sulfonate group and Li cations. A multiscale computational study
    • A. Mavrandonakis, E. Klontzas, E. Tylianakis, and G.E. Froudakis Enhancement of hydrogen adsorption in metal-organic frameworks by the incorporation of the sulfonate group and Li cations. A multiscale computational study J Am Chem Soc 131 2009 13410 13414
    • (2009) J Am Chem Soc , vol.131 , pp. 13410-13414
    • Mavrandonakis, A.1    Klontzas, E.2    Tylianakis, E.3    Froudakis, G.E.4
  • 27
    • 34047116540 scopus 로고    scopus 로고
    • Covalent 2D and 3D networks from 1D nanostructures: Designing new materials
    • J.M. Romo-Herrera, M. Terrones, H. Terrones, S. Dag, and V. Meunier Covalent 2D and 3D networks from 1D nanostructures: designing new materials Nano Lett 7 2007 570 576
    • (2007) Nano Lett , vol.7 , pp. 570-576
    • Romo-Herrera, J.M.1    Terrones, M.2    Terrones, H.3    Dag, S.4    Meunier, V.5
  • 28
    • 79751515027 scopus 로고    scopus 로고
    • Porous nanotube network: A novel 3-D nanostructured material with enhanced hydrogen storage capacity
    • E. Tylianakis, G.K. Dimitrakakis, S. Melchor, J.A. Dobado, and G.E. Froudakis Porous nanotube network: a novel 3-D nanostructured material with enhanced hydrogen storage capacity Chem Commun 47 2011 2303 2305
    • (2011) Chem Commun , vol.47 , pp. 2303-2305
    • Tylianakis, E.1    Dimitrakakis, G.K.2    Melchor, S.3    Dobado, J.A.4    Froudakis, G.E.5
  • 29
    • 79959715527 scopus 로고    scopus 로고
    • CoNTub v2.0-Algorithms for constructing C 3-symmetric models of three-nanotube junctions
    • S. Melchor, F.J. Martin-Martinez, and J.A. Dobado CoNTub v2.0-Algorithms for constructing C 3-symmetric models of three-nanotube junctions J Chem Inf Mod 51 2011 1492 1505
    • (2011) J Chem Inf Mod , vol.51 , pp. 1492-1505
    • Melchor, S.1    Martin-Martinez, F.J.2    Dobado, J.A.3
  • 30
    • 5444258107 scopus 로고    scopus 로고
    • Geometry of multi-tube carbon clusters and electronic transmission in nanotube contacts
    • S.M. Ferrer, N.V. Khokhriakov, and S.S. Savinskii Geometry of multi-tube carbon clusters and electronic transmission in nanotube contacts Mol Eng 8 1999 315 344
    • (1999) Mol Eng , vol.8 , pp. 315-344
    • Ferrer, S.M.1    Khokhriakov, N.V.2    Savinskii, S.S.3
  • 31
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • A.D. Becke Density-functional exchange-energy approximation with correct asymptotic behavior Phys Rev A 38 1988 3098 3100
    • (1988) Phys Rev A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 32
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
    • S.H. Vosko, L. Wilk, and M. Nusair Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Can J Phys 58 1980 1200 1211
    • (1980) Can J Phys , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 33
    • 5944261746 scopus 로고
    • Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • J.P. Perdew Density-functional approximation for the correlation energy of the inhomogeneous electron gas Phys Rev B 33 1986 8822 8824
    • (1986) Phys Rev B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 34
    • 4043083704 scopus 로고
    • Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas
    • J.P. Perdew Erratum: density-functional approximation for the correlation energy of the inhomogeneous electron gas Phys Rev B 34 1986 7406
    • (1986) Phys Rev B , vol.34 , pp. 7406
    • Perdew, J.P.1
  • 35
    • 4243402296 scopus 로고
    • Efficient molecular numerical integration schemes
    • O. Treutler, and R. Ahlrichs Efficient molecular numerical integration schemes J Chem Phys 102 1995 346 354
    • (1995) J Chem Phys , vol.102 , pp. 346-354
    • Treutler, O.1    Ahlrichs, R.2
  • 36
    • 0038617492 scopus 로고    scopus 로고
    • Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation
    • M. Sierka, A. Hogekamp, and R. Ahlrichs Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation J Chem Phys 118 2003 9136 9148
    • (2003) J Chem Phys , vol.118 , pp. 9136-9148
    • Sierka, M.1    Hogekamp, A.2    Ahlrichs, R.3
  • 38
    • 0031285825 scopus 로고    scopus 로고
    • Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials
    • K. Eichkorn, F. Weigend, O. Treutler, and R. Ahlrichs Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials Theor Chem Acc 97 1997 119 124
    • (1997) Theor Chem Acc , vol.97 , pp. 119-124
    • Eichkorn, K.1    Weigend, F.2    Treutler, O.3    Ahlrichs, R.4
  • 39
    • 26344435738 scopus 로고
    • Fully optimized contracted Gaussian basis sets for atoms Li to Kr
    • A. Schäfer, H. Horn, and R. Ahlrichs Fully optimized contracted Gaussian basis sets for atoms Li to Kr J Chem Phys 97 1992 2571 2577
    • (1992) J Chem Phys , vol.97 , pp. 2571-2577
    • Schäfer, A.1    Horn, H.2    Ahlrichs, R.3
  • 40
    • 34547595460 scopus 로고    scopus 로고
    • Carbon nanoscrolls: A promising material for hydrogen storage
    • G. Mpourmpakis, E. Tylianakis, and G.E. Froudakis Carbon nanoscrolls: a promising material for hydrogen storage Nano Lett 7 2007 1893 1897
    • (2007) Nano Lett , vol.7 , pp. 1893-1897
    • Mpourmpakis, G.1    Tylianakis, E.2    Froudakis, G.E.3
  • 41
    • 60649119855 scopus 로고    scopus 로고
    • Pillared graphene: A new 3-D network nanostructure for enhanced hydrogen storage
    • G.K. Dimitrakakis, E. Tylianakis, and G.E. Froudakis Pillared graphene: a new 3-D network nanostructure for enhanced hydrogen storage Nano Lett 8 2008 3166 3170
    • (2008) Nano Lett , vol.8 , pp. 3166-3170
    • Dimitrakakis, G.K.1    Tylianakis, E.2    Froudakis, G.E.3
  • 42
    • 9144240095 scopus 로고
    • Dreiding - A generic force-field for molecular simulations
    • S.L. Mayo, B.D. Olafson, and W.A. Goddard Dreiding - a generic force-field for molecular simulations J Phys Chem 94 1990 8897 8909
    • (1990) J Phys Chem , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 43
    • 76749144227 scopus 로고    scopus 로고
    • Designing 3D COFs with enhanced hydrogen storage capacity
    • E. Klontzas, E. Tylianakis, and G.E. Froudakis Designing 3D COFs with enhanced hydrogen storage capacity Nano Lett 10 2010 452 454
    • (2010) Nano Lett , vol.10 , pp. 452-454
    • Klontzas, E.1    Tylianakis, E.2    Froudakis, G.E.3


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