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Volumn 84, Issue 16, 2011, Pages

Dispersion-corrected density functional theory comparison of hydrogen adsorption on boron-nitride and carbon nanotubes

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EID: 80455167920     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.165408     Document Type: Article
Times cited : (27)

References (55)
  • 1
    • 80455161751 scopus 로고    scopus 로고
    • Department of Energy, A National Vision of America's Transition to a Hydrogen Economy
    • Department of Energy, A National Vision of America's Transition to a Hydrogen Economy (2002) [http://www.hydrogen.energy.gov/pdfs/vision-doc.pdf];
    • (2002)
  • 2
    • 80455135599 scopus 로고    scopus 로고
    • Department of Energy, Hydrogen Posture Plan
    • Department of Energy, Hydrogen Posture Plan [http://www.hydrogen.energy. gov/pdfs/hydrogen-posture-plan-dec06.pdf] (2006).
    • (2006)
  • 4
    • 80455127757 scopus 로고    scopus 로고
    • Department of Energy, A Fuel Cell Technologies Program
    • Department of Energy, A Fuel Cell Technologies Program [http://www1.eere.energy.gov/hydrogenandfuelcells/mypp/].
  • 5
    • 33750218783 scopus 로고    scopus 로고
    • Activated boron nitride nanotubes: A potential material for room-temperature hydrogen storage
    • DOI 10.1103/PhysRevB.74.155424
    • S. H. Jhi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.74.155424 74, 155424 (2006). (Pubitemid 44607499)
    • (2006) Physical Review B - Condensed Matter and Materials Physics , vol.74 , Issue.15 , pp. 155424
    • Jhi, S.-H.1
  • 6
    • 0035891289 scopus 로고    scopus 로고
    • Hydrogen-storage materials for mobile applications
    • DOI 10.1038/35104634
    • L. Schlapbach and A. Zuttel, Nature 0028-0836 10.1038/35104634 414, 353 (2001). (Pubitemid 33097818)
    • (2001) Nature , vol.414 , Issue.6861 , pp. 353-358
    • Schlapbach, L.1    Zuttel, A.2
  • 9
    • 0033527691 scopus 로고    scopus 로고
    • Hydrogen storage in single-walled carbon nanotubes at room temperature
    • DOI 10.1126/science.286.5442.1127
    • C. Liu, Y. Y. Fan, M. Liu, H. T. Cong, H. M. Cheng, and M. S. Dresselhaus, Science SCIEAS 0036-8075 10.1126/science.286.5442.1127 286, 1127 (1999). (Pubitemid 29522267)
    • (1999) Science , vol.286 , Issue.5442 , 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
  • 10
    • 0034956584 scopus 로고    scopus 로고
    • Hydrogen storage in carbon nanotubes
    • DOI 10.1016/S0008-6223(00)00306-7, PII S0008622300003067
    • H. M. Cheng, Q. H. Yang, and C. Liu, Carbon CRBNAH 0008-6223 10.1016/S0008-6223(00)00306-7 39, 1447, (2001). (Pubitemid 32605537)
    • (2001) Carbon , vol.39 , Issue.10 , pp. 1447-1454
    • Cheng, H.-M.1    Yang, Q.-H.2    Liu, C.3
  • 12
  • 18
    • 33846398161 scopus 로고    scopus 로고
    • Synthesis of boron nitride nanotubes and its hydrogen uptake
    • DOI 10.1016/j.cattod.2006.09.016, PII S0920586106006304
    • S. H. Lim, J. Luo, W. Ji, and J. Lin, Catal. Today 0920-5861 10.1016/j.cattod.2006.09.016 120, 346 (2007). (Pubitemid 46135921)
    • (2007) Catalysis Today , vol.120 , Issue.3-4 SPEC. ISS. , pp. 346-350
    • Lim, S.H.1    Luo, J.2    Ji, W.3    Lin, J.4
  • 22
    • 27144481965 scopus 로고    scopus 로고
    • Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium
    • DOI 10.1103/PhysRevLett.94.175501, 175501
    • T. Yildirim and S. Ciraci, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.175501 94, 175501 (2005). (Pubitemid 41492274)
    • (2005) Physical Review Letters , vol.94 , Issue.17 , pp. 1-4
    • Yildirim, T.1    Ciraci, S.2
  • 24
    • 3142676608 scopus 로고    scopus 로고
    • CRBNAH 0008-6223 10.1016/j.carbon.2004.04.025
    • S. S. Han and H. M. Lee, Carbon CRBNAH 0008-6223 10.1016/j.carbon.2004. 04.025 42, 2169 (2004).
    • (2004) Carbon , vol.42 , pp. 2169
    • Han, S.S.1    Lee, H.M.2
  • 25
    • 34347394730 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.75.245413
    • D. Henwood and J. D. Carey, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.75.245413 75, 245413 (2007).
    • (2007) Phys. Rev. B , vol.75 , pp. 245413
    • Henwood, D.1    Carey, J.D.2
  • 27
    • 27144481965 scopus 로고    scopus 로고
    • Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium
    • DOI 10.1103/PhysRevLett.94.175501, 175501
    • T. Yildirim and S. Ciraci, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.175501 94, 175501 (2005). (Pubitemid 41492274)
    • (2005) Physical Review Letters , vol.94 , Issue.17 , pp. 1-4
    • Yildirim, T.1    Ciraci, S.2
  • 28
    • 70350588675 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.115412
    • H. Lee, J. Ihm, M. L. Cohen, and S. G. Louie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.80.115412 80, 115412 (2009).
    • (2009) Phys. Rev. B , vol.80 , pp. 115412
    • Lee, H.1    Ihm, J.2    Cohen, M.L.3    Louie, S.G.4
  • 29
    • 42749106289 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.69.245407
    • S. H. Jhi and Y. K. Kwon, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.245407 69, 245407 (2004).
    • (2004) Phys. Rev. B , vol.69 , pp. 245407
    • Jhi, S.H.1    Kwon, Y.K.2
  • 31
    • 9744237280 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.1799958
    • X. Wu, J. Yang, J. G. Hou, and Q. Zhu, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1799958 121, 8481 (2004).
    • (2004) J. Chem. Phys. , vol.121 , pp. 8481
    • Wu, X.1    Yang, J.2    Hou, J.G.3    Zhu, Q.4
  • 32
    • 33846380285 scopus 로고    scopus 로고
    • Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage?. An ab initio theoretical study
    • DOI 10.1016/j.cattod.2006.09.023, PII S0920586106006298
    • G. Mpourmpakis and G. E. Froudakis, Catal. Today 0920-5861 10.1016/j.cattod.2006.09.023 120, 341 (2007). (Pubitemid 46135920)
    • (2007) Catalysis Today , vol.120 , Issue.3-4 SPEC. ISS. , pp. 341-345
    • Mpourmpakis, G.1    Froudakis, G.E.2
  • 34
    • 34548421125 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.76.073413
    • E. Durgun, Y.-R. Jang, and S. Ciraci, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.073413 76, 073413 (2007).
    • (2007) Phys. Rev. B , vol.76 , pp. 073413
    • Durgun, E.1    Jang, Y.-R.2    Ciraci, S.3
  • 35
    • 33746855416 scopus 로고    scopus 로고
    • Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes
    • DOI 10.1063/1.2210933
    • X. Wu, J. L. Yang, and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2210933 125, 044704 (2006). (Pubitemid 44179426)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.4 , pp. 044704
    • Wu, X.1    Yang, J.L.2    Zeng, X.C.3
  • 37
    • 33750022332 scopus 로고    scopus 로고
    • Transition-metal-doping-enhanced hydrogen storage in boron nitride systems
    • DOI 10.1063/1.2360232
    • S. A. Shevlina and Z. X. Guo, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2360232 89, 153104 (2006). (Pubitemid 44570594)
    • (2006) Applied Physics Letters , vol.89 , Issue.15 , pp. 153104
    • Shevlin, S.A.1    Guo, Z.X.2
  • 38
    • 72449139073 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.3269802
    • T. Sato and H. Nakai, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3269802 131, 224104, (2009).
    • (2009) J. Chem. Phys. , vol.131 , pp. 224104
    • Sato, T.1    Nakai, H.2
  • 39
    • 0001758232 scopus 로고
    • CHREAY 0009-2665 10.1021/cr00031a001
    • G. Chalasinski and M. M. Szczesniak, Chem. Rev. CHREAY 0009-2665 10.1021/cr00031a001 94, 1723 (1994).
    • (1994) Chem. Rev. , vol.94 , pp. 1723
    • Chalasinski, G.1    Szczesniak, M.M.2
  • 42
    • 4043164887 scopus 로고    scopus 로고
    • JCCHDD 0192-8651 10.1002/jcc.20078
    • S. Grimme, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20078 25, 1463 (2004).
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463
    • Grimme, S.1
  • 43
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • S. Grimme, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20495 27, 1787 (2006). (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 46
    • 70349568754 scopus 로고    scopus 로고
    • 0953-8984 10.1088/0953-8984/21/39/395502
    • P. Giannozzi, J. Phys.: Cond. Matt. 0953-8984 10.1088/0953-8984/21/39/ 395502 21, 395502 (2009).
    • (2009) J. Phys.: Cond. Matt. , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 48
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 49
    • 20544463457 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.41.7892
    • D. Vanderbilt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.41.7892 41, 7892 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 7892
    • Vanderbilt, D.1
  • 55
    • 33646768692 scopus 로고
    • ZEPYAA 1434-6001 10.1007/BF01421741
    • F. London, Z. Phys. ZEPYAA 1434-6001 10.1007/BF01421741 63, 245 (1930).
    • (1930) Z. Phys. , vol.63 , pp. 245
    • London, F.1


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