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Volumn 258, Issue 22, 2012, Pages 8874-8879

Theoretical prediction of hydrogen storage on Li decorated planar boron sheets

Author keywords

Binding energy; Boron sheets; Hydrogen storage

Indexed keywords

BINDING ENERGY; BORON; CALCULATIONS; DENSITY FUNCTIONAL THEORY; MOLECULES;

EID: 84863526610     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.05.107     Document Type: Article
Times cited : (34)

References (40)
  • 1
    • 0035891289 scopus 로고    scopus 로고
    • Hydrogen-storage materials for mobile applications
    • L. Schlapbach, and A. Züttel Hydrogen-storage materials for mobile applications Nature 414 2001 353 358
    • (2001) Nature , vol.414 , pp. 353-358
    • Schlapbach, L.1    Züttel, A.2
  • 2
    • 0042890410 scopus 로고    scopus 로고
    • Materials for hydrogen storage
    • A. Züttel Materials for hydrogen storage Materials Today 6 2003 24 33
    • (2003) Materials Today , vol.6 , pp. 24-33
    • Züttel, A.1
  • 3
    • 84855554663 scopus 로고    scopus 로고
    • Hydrogen storage in different carbon materials: Influence of the porosity development by chemical activation
    • V. Jiménez, A. Ramírez-Lucas, P. Sánchez, J.L. Valverde, and A. Romero Hydrogen storage in different carbon materials: influence of the porosity development by chemical activation Applied Surface Science 258 2012 2489 2509
    • (2012) Applied Surface Science , vol.258 , pp. 2489-2509
    • Jiménez, V.1    Ramírez-Lucas, A.2    Sánchez, P.3    Valverde, J.L.4    Romero, A.5
  • 4
    • 0043202720 scopus 로고    scopus 로고
    • Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures
    • J. Li, T. Furuta, H. Goto, T. Ohashi, Y. Fujiwara, and S. Yip Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures Journal of Chemical Physics 119 2003 2376 2385
    • (2003) Journal of Chemical Physics , vol.119 , pp. 2376-2385
    • Li, J.1    Furuta, T.2    Goto, H.3    Ohashi, T.4    Fujiwara, Y.5    Yip, S.6
  • 5
    • 33750218783 scopus 로고    scopus 로고
    • Activated boron nitride nanotubes: A potential material for room-temperature hydrogen storage
    • S.H. Jhi Activated boron nitride nanotubes: a potential material for room-temperature hydrogen storage Physical Review B 74 2006 155424
    • (2006) Physical Review B , vol.74 , pp. 155424
    • Jhi, S.H.1
  • 7
    • 38849150260 scopus 로고    scopus 로고
    • Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage
    • E. Durgun, S. Ciraci, and T. Yildirim Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage Physical Review B 77 2008 085405
    • (2008) Physical Review B , vol.77 , pp. 085405
    • Durgun, E.1    Ciraci, S.2    Yildirim, T.3
  • 9
    • 31444431971 scopus 로고    scopus 로고
    • Significantly enhanced hydrogen storage in metal-organic frameworks via spillover
    • Y. Li, and R.T. Yang Significantly enhanced hydrogen storage in metal-organic frameworks via spillover Journal of the American Chemical Society 128 2006 726 727
    • (2006) Journal of the American Chemical Society , vol.128 , pp. 726-727
    • Li, Y.1    Yang, R.T.2
  • 10
    • 40849136240 scopus 로고    scopus 로고
    • High capacity hydrogen absorption in transition metal-ethylene complexes observed via nanogravimetry
    • A.B. Phillips, and B.S. Shivaram High capacity hydrogen absorption in transition metal-ethylene complexes observed via nanogravimetry Physical Review Letters 100 2008 105505
    • (2008) Physical Review Letters , vol.100 , pp. 105505
    • Phillips, A.B.1    Shivaram, B.S.2
  • 16
    • 79551682089 scopus 로고    scopus 로고
    • A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage
    • E. Beheshti, A. Nojeh, and P. Servati A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage Carbon 49 2011 1561 1567
    • (2011) Carbon , vol.49 , pp. 1561-1567
    • Beheshti, E.1    Nojeh, A.2    Servati, P.3
  • 17
  • 18
    • 60449098903 scopus 로고    scopus 로고
    • Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations
    • C. Ataca, E. Aktürk, and S. Ciraci Hydrogen storage of calcium atoms adsorbed on graphene: first-principles plane wave calculations Physical Review B 79 2009 041406
    • (2009) Physical Review B , vol.79 , pp. 041406
    • Ataca, C.1    Aktürk, E.2    Ciraci, S.3
  • 20
    • 51049100181 scopus 로고    scopus 로고
    • Thermodynamic stability of novel boron sheet configurations
    • K.C. Lau, and R. Pandey Thermodynamic stability of novel boron sheet configurations Journal of Physical Chemistry B 112 2008 10217 10220
    • (2008) Journal of Physical Chemistry B , vol.112 , pp. 10217-10220
    • Lau, K.C.1    Pandey, R.2
  • 21
    • 37749025164 scopus 로고    scopus 로고
    • Ab initio prediction of stable boron sheets and boron nanotubes: Structure, stability and electronic properties
    • X. Yang, Y. Ding, and J. Ni Ab initio prediction of stable boron sheets and boron nanotubes: structure, stability and electronic properties Physical Review B 77 2008 041402
    • (2008) Physical Review B , vol.77 , pp. 041402
    • Yang, X.1    Ding, Y.2    Ni, J.3
  • 22
    • 34548792831 scopus 로고    scopus 로고
    • Novel precursors for boron nanotubes: The competition of two-center and three-center bonding in boron sheets
    • H. Tang, and S. Ismail-Beigi Novel precursors for boron nanotubes: the competition of two-center and three-center bonding in boron sheets Physical Review Letters 99 2007 11501
    • (2007) Physical Review Letters , vol.99 , pp. 11501
    • Tang, H.1    Ismail-Beigi, S.2
  • 24
    • 42549098567 scopus 로고    scopus 로고
    • Stuffing improves the stability of fullerenelike boron clusters
    • D.L.V.K. Prasad, and E.D. Jemmis Stuffing improves the stability of fullerenelike boron clusters Physical Review Letters 100 2008 165504
    • (2008) Physical Review Letters , vol.100 , pp. 165504
    • Prasad, D.L.V.K.1    Jemmis, E.D.2
  • 25
    • 46749156986 scopus 로고    scopus 로고
    • Probing properties of boron α-tubes by ab initio calculations
    • A.K. Singh, A. Sadrzadeh, and B.I. Yakobson Probing properties of boron α-tubes by ab initio calculations Nano Letters 8 2008 1314 1317
    • (2008) Nano Letters , vol.8 , pp. 1314-1317
    • Singh, A.K.1    Sadrzadeh, A.2    Yakobson, B.I.3
  • 26
    • 49149091768 scopus 로고    scopus 로고
    • Electronic structures of boron nanoribbons
    • Y. Ding, X.B. Yang, and J. Ni Electronic structures of boron nanoribbons Applied Physics Letters 93 2008 043107
    • (2008) Applied Physics Letters , vol.93 , pp. 043107
    • Ding, Y.1    Yang, X.B.2    Ni, J.3
  • 29
    • 66549126137 scopus 로고    scopus 로고
    • Ca-coated boron fullerenes and nanotubes as superior hydrogen storage materials
    • M. Li, Y. Li, Z. Zhou, P. Shen, and Z. Chen Ca-coated boron fullerenes and nanotubes as superior hydrogen storage materials Nano Letters 9 2009 1944 1948
    • (2009) Nano Letters , vol.9 , pp. 1944-1948
    • Li, M.1    Li, Y.2    Zhou, Z.3    Shen, P.4    Chen, Z.5
  • 30
    • 79961056468 scopus 로고    scopus 로고
    • Radial deformation-induced high-capacity hydrogen storage in Li-coated zigzag boron nanotubes
    • H. An, C. Liu, and Z. Zeng Radial deformation-induced high-capacity hydrogen storage in Li-coated zigzag boron nanotubes Physical Review B 83 2011 115456
    • (2011) Physical Review B , vol.83 , pp. 115456
    • An, H.1    Liu, C.2    Zeng, Z.3
  • 31
    • 70449553352 scopus 로고    scopus 로고
    • DFT study of planar boron sheets: A new template for hydrogen storage
    • S. Er, G.A. Wijs, and G. Brocks DFT study of planar boron sheets: a new template for hydrogen storage Journal of Physical Chemistry C 113 2009 18962 18967
    • (2009) Journal of Physical Chemistry C , vol.113 , pp. 18962-18967
    • Er, S.1    Wijs, G.A.2    Brocks, G.3
  • 32
    • 77957745705 scopus 로고    scopus 로고
    • Hydrogen storage in Li and Ti decorated borazine: A first-principles study
    • M. Li, J. Li, Q. Sun, and Y. Jia Hydrogen storage in Li and Ti decorated borazine: a first-principles study Journal of Applied Physics 108 2010 064326
    • (2010) Journal of Applied Physics , vol.108 , pp. 064326
    • Li, M.1    Li, J.2    Sun, Q.3    Jia, Y.4
  • 33
    • 81355142798 scopus 로고    scopus 로고
    • Li and Ca co-decorated carbon nitride nanostructures as high capacity hydrogen storage media
    • Y.S. Wang, Y. Ji, M. Li, P.F. Yuan, Q. Sun, and Y. Jia Li and Ca co-decorated carbon nitride nanostructures as high capacity hydrogen storage media Journal of Applied Physics 110 2011 094311
    • (2011) Journal of Applied Physics , vol.110 , pp. 094311
    • Wang, Y.S.1    Ji, Y.2    Li, M.3    Yuan, P.F.4    Sun, Q.5    Jia, Y.6
  • 34
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Physical Review B 54 1996 11169 11186
    • (1996) Physical Review B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 35
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • P.E. Blöchl Projector augmented-wave method Physical Review B 50 1994 17953 17979
    • (1994) Physical Review B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 36
    • 23244460838 scopus 로고
    • Atoms, molecules, solids and surfaces: Applications of the generalized gradient approximation for exchange and correlation
    • J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Atoms, molecules, solids and surfaces: applications of the generalized gradient approximation for exchange and correlation Physical Review B 46 1992 6671 6687
    • (1992) Physical Review B , vol.46 , pp. 6671-6687
    • Perdew, J.P.1    Chevary, J.A.2    Vosko, S.H.3    Jackson, K.A.4    Pederson, M.R.5    Singh, D.J.6    Fiolhais, C.7
  • 37
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • S. Grimme Semiempirical GGA-type density functional constructed with a long-range dispersion correction Journal of Computational Chemistry 27 2006 1787 1799
    • (2006) Journal of Computational Chemistry , vol.27 , pp. 1787-1799
    • Grimme, S.1
  • 38
    • 78049495810 scopus 로고    scopus 로고
    • Improved description of the structure of molecular and layered crystals: Ab initio DFT calculations with van der Waals corrections
    • T. Bučko, J. Hafner, S. Lebègue, and J.G. Ángyán Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections Journal of Physical Chemistry A 114 2010 11814 11824
    • (2010) Journal of Physical Chemistry A , vol.114 , pp. 11814-11824
    • Bučko, T.1    Hafner, J.2    Lebègue, S.3    Ángyán, J.G.4
  • 39
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Physical Review B 13 1976 5188 5192
    • (1976) Physical Review B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 40
    • 0011572361 scopus 로고
    • Binding of hydrogen molecules by a transition-metal ion
    • J. Niu, B.K. Rao, and P. Jena Binding of hydrogen molecules by a transition-metal ion Physical Review Letters 68 1992 2277 2280
    • (1992) Physical Review Letters , vol.68 , pp. 2277-2280
    • Niu, J.1    Rao, B.K.2    Jena, P.3


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