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Volumn 300, Issue , 2014, Pages 91-97

O 2 activation on the outer surface of carbon nanotubes modified by encapsulated iron clusters

Author keywords

Carbon nanotube; Charge transfer; First principles calculation; Iron cluster

Indexed keywords

CALCULATIONS; CARBON NANOTUBES; CHARGE TRANSFER; ELECTRONIC PROPERTIES; IRON; REDUCTION; WORK FUNCTION; YARN;

EID: 84896490975     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.02.009     Document Type: Article
Times cited : (12)

References (44)
  • 1
    • 0037008487 scopus 로고    scopus 로고
    • Carbon nanotubes - The route toward applications
    • R.H. Baughman, A.A. Zakhidov, and W.A. de Heer Carbon nanotubes - the route toward applications Science 297 2002 787 792
    • (2002) Science , vol.297 , pp. 787-792
    • Baughman, R.H.1    Zakhidov, A.A.2    De Heer, W.A.3
  • 6
    • 0027136138 scopus 로고
    • Capillarity-induced filling of carbon nanotubes
    • P.M. Ajayan, and S. lijima Capillarity-induced filling of carbon nanotubes Nature 361 1993 333 334
    • (1993) Nature , vol.361 , pp. 333-334
    • Ajayan, P.M.1    Lijima, S.2
  • 8
    • 14644439267 scopus 로고    scopus 로고
    • Cancer nanotechnology: Opportunities and challenges
    • M. Ferrari Cancer nanotechnology: opportunities and challenges Nat. Rev. Cancer 5 2005 161 171
    • (2005) Nat. Rev. Cancer , vol.5 , pp. 161-171
    • Ferrari, M.1
  • 10
    • 0042267344 scopus 로고    scopus 로고
    • Magnetism of transition-metal/carbon-nanotube hybrid structures
    • C.-K. Yang, J. Zhao, and J.P. Lu Magnetism of transition-metal/carbon- nanotube hybrid structures Phys. Rev. Lett. 90 2003 257203
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 257203
    • Yang, C.-K.1    Zhao, J.2    Lu, J.P.3
  • 11
    • 1642304599 scopus 로고    scopus 로고
    • Stable geometries and magnetic properties of single-walled carbon nanotubes doped with 3d transition metals: A first-principles study
    • Y. Yagi, T.M. Briere, M.H.F. Sluiter, V. Kumar, A.A. Farajian, and Y. Kawazoe Stable geometries and magnetic properties of single-walled carbon nanotubes doped with 3d transition metals: a first-principles study Phys. Rev. B 69 2004 075414
    • (2004) Phys. Rev. B , vol.69 , pp. 075414
    • Yagi, Y.1    Briere, T.M.2    Sluiter, M.H.F.3    Kumar, V.4    Farajian, A.A.5    Kawazoe, Y.6
  • 12
    • 20044366625 scopus 로고    scopus 로고
    • Electronic and magnetic properties of single-wall carbon nanotubes filled with iron atoms
    • Y.-J. Kang, J. Choi, C.-Y. Moon, and K.J. Chang Electronic and magnetic properties of single-wall carbon nanotubes filled with iron atoms Phys. Rev. B 71 2005 115441
    • (2005) Phys. Rev. B , vol.71 , pp. 115441
    • Kang, Y.-J.1    Choi, J.2    Moon, C.-Y.3    Chang, K.J.4
  • 13
    • 0037101337 scopus 로고    scopus 로고
    • Binding energies and electronic structures of adsorbed titanium chains on carbon nanotubes
    • C.-K. Yang, J. Zhao, and J.P. Lu Binding energies and electronic structures of adsorbed titanium chains on carbon nanotubes Phys. Rev. B 66 2002 041403
    • (2002) Phys. Rev. B , vol.66 , pp. 041403
    • Yang, C.-K.1    Zhao, J.2    Lu, J.P.3
  • 14
    • 77953825827 scopus 로고    scopus 로고
    • First-principles study of Ru atoms and clusters adsorbed outside and inside carbon nanotubes
    • H. Gao, and J. Zhao First-principles study of Ru atoms and clusters adsorbed outside and inside carbon nanotubes J. Chem. Phys. 132 2010 234704
    • (2010) J. Chem. Phys. , vol.132 , pp. 234704
    • Gao, H.1    Zhao, J.2
  • 15
    • 33745663406 scopus 로고    scopus 로고
    • Carbon nanotubes contain metal impurities which are responsible for the electrocatalysis seen at some nanotube-modified electrodes
    • C.E. Banks, A. Crossley, C. Salter, S.J. Wilkins, and R.G. Compton Carbon nanotubes contain metal impurities which are responsible for the electrocatalysis seen at some nanotube-modified electrodes Angew. Chem. Int. Ed. 45 2006 2533 2537
    • (2006) Angew. Chem. Int. Ed. , vol.45 , pp. 2533-2537
    • Banks, C.E.1    Crossley, A.2    Salter, C.3    Wilkins, S.J.4    Compton, R.G.5
  • 16
    • 67749113388 scopus 로고    scopus 로고
    • Bimetallic nickel-iron impurities within single-walled carbon nanotubes exhibit redox activity towards the oxidation of amino acids
    • M. Pumera, H. Iwai, and Y. Miyahara Bimetallic nickel-iron impurities within single-walled carbon nanotubes exhibit redox activity towards the oxidation of amino acids ChemPhysChem 10 2009 1770 1773
    • (2009) ChemPhysChem , vol.10 , pp. 1770-1773
    • Pumera, M.1    Iwai, H.2    Miyahara, Y.3
  • 17
    • 84868106306 scopus 로고    scopus 로고
    • Impurities in graphenes and carbon nanotubes and their influence on the redox properties
    • M. Pumera, A. Ambrosi, and E.L.K. Chng Impurities in graphenes and carbon nanotubes and their influence on the redox properties Chem. Sci. 3 2012 3347 3355
    • (2012) Chem. Sci. , vol.3 , pp. 3347-3355
    • Pumera, M.1    Ambrosi, A.2    Chng, E.L.K.3
  • 18
    • 34249872465 scopus 로고    scopus 로고
    • Carbon nanotubes contain residual metal catalyst nanoparticles even after washing with nitric acid at elevated temperature because these metal nanoparticles are sheathed by several graphene sheets
    • M. Pumera Carbon nanotubes contain residual metal catalyst nanoparticles even after washing with nitric acid at elevated temperature because these metal nanoparticles are sheathed by several graphene sheets Langmuir 23 2007 6453 6458
    • (2007) Langmuir , vol.23 , pp. 6453-6458
    • Pumera, M.1
  • 19
    • 84863691024 scopus 로고    scopus 로고
    • Confined iron nanowires enhance the catalytic activity of carbon nanotubes in the aerobic oxidation of cyclohexane
    • X. Yang, H. Yu, F. Peng, and H. Wang Confined iron nanowires enhance the catalytic activity of carbon nanotubes in the aerobic oxidation of cyclohexane ChemSusChem 5 2012 1213 1217
    • (2012) ChemSusChem , vol.5 , pp. 1213-1217
    • Yang, X.1    Yu, H.2    Peng, F.3    Wang, H.4
  • 21
    • 84863115653 scopus 로고    scopus 로고
    • Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping
    • S. Ni, Z. Li, and J. Yang Oxygen molecule dissociation on carbon nanostructures with different types of nitrogen doping Nanoscale 4 2012 1184 1189
    • (2012) Nanoscale , vol.4 , pp. 1184-1189
    • Ni, S.1    Li, Z.2    Yang, J.3
  • 23
    • 77956586885 scopus 로고    scopus 로고
    • Strain-enhanced stabilization and catalytic activity of metal nanoclusters on graphene
    • M. Zhou, A. Zhang, Z. Dai, Y.P. Feng, and C. Zhang Strain-enhanced stabilization and catalytic activity of metal nanoclusters on graphene J. Phys. Chem. C 114 2010 16541 16546
    • (2010) J. Phys. Chem. C , vol.114 , pp. 16541-16546
    • Zhou, M.1    Zhang, A.2    Dai, Z.3    Feng, Y.P.4    Zhang, C.5
  • 24
    • 84864746074 scopus 로고    scopus 로고
    • Controlled catalytic properties of platinum clusters on strained graphene
    • G. Kim, Y. Kawazoe, and K.-R. Lee Controlled catalytic properties of platinum clusters on strained graphene J. Phys. Chem. Lett. 3 2012 1989 1996
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 1989-1996
    • Kim, G.1    Kawazoe, Y.2    Lee, K.-R.3
  • 25
    • 80053614205 scopus 로고    scopus 로고
    • Strong spin-orbit splitting in graphene with adsorbed Au atoms
    • D. Ma, Z. Li, and Z. Yang Strong spin-orbit splitting in graphene with adsorbed Au atoms Carbon 50 2012 297 305
    • (2012) Carbon , vol.50 , pp. 297-305
    • Ma, D.1    Li, Z.2    Yang, Z.3
  • 26
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953 17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 27
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 1999 1758 1775
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 28
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 6 1996 15 50
    • (1996) Comput. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 30
    • 36049052380 scopus 로고    scopus 로고
    • Structural and magnetic properties of Fe 4 clusters confined in carbon nanotubes
    • S. Yang, Y. Kong, F. Wen, and F. Li Structural and magnetic properties of Fe 4 clusters confined in carbon nanotubes J. Phys. Condens. Matter. 19 2007 466203
    • (2007) J. Phys. Condens. Matter. , vol.19 , pp. 466203
    • Yang, S.1    Kong, Y.2    Wen, F.3    Li, F.4
  • 31
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Phys. Rev. B 13 1976 5188 5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 32
    • 0034513054 scopus 로고    scopus 로고
    • A climbing image nudged elastic band method for finding saddle points and minimum energy paths
    • G. Henkelman, B.P. Uberuaga, and H. Jonsson A climbing image nudged elastic band method for finding saddle points and minimum energy paths J. Chem. Phys. 113 2000 9901 9904
    • (2000) J. Chem. Phys. , vol.113 , pp. 9901-9904
    • Henkelman, G.1    Uberuaga, B.P.2    Jonsson, H.3
  • 33
    • 77952352887 scopus 로고    scopus 로고
    • Novel properties of boron nitride nanotubes encapsulated with Fe, Co, and Ni nanoclusters
    • S. Ghosh, S. Nigam, G.P. Das, and C. Majumdar Novel properties of boron nitride nanotubes encapsulated with Fe, Co, and Ni nanoclusters J. Chem. Phys. 132 2010 164704 164708
    • (2010) J. Chem. Phys. , vol.132 , pp. 164704-164708
    • Ghosh, S.1    Nigam, S.2    Das, G.P.3    Majumdar, C.4
  • 34
    • 33745753520 scopus 로고    scopus 로고
    • A fast and robust algorithm for Bader decomposition of charge density
    • G. Henkelman, A. Arnaldsson, and H. Jónsson A fast and robust algorithm for Bader decomposition of charge density Comput. Mater. Sci. 36 2006 354 360
    • (2006) Comput. Mater. Sci. , vol.36 , pp. 354-360
    • Henkelman, G.1    Arnaldsson, A.2    Jónsson, H.3
  • 35
    • 0037488310 scopus 로고    scopus 로고
    • Ab initio study of an iron atom interacting with single-wall carbon nanotubes
    • S.B. Fagan, R. Mota, A.J.R. da Silva, and A. Fazzio Ab initio study of an iron atom interacting with single-wall carbon nanotubes Phys. Rev. B 67 2003 205414
    • (2003) Phys. Rev. B , vol.67 , pp. 205414
    • Fagan, S.B.1    Mota, R.2    Da Silva, A.J.R.3    Fazzio, A.4
  • 36
    • 0037092736 scopus 로고    scopus 로고
    • Work functions of pristine and alkali-metal intercalated carbon nanotubes and bundles
    • J. Zhao, J. Han, and J.P. Lu Work functions of pristine and alkali-metal intercalated carbon nanotubes and bundles Phys. Rev. B 65 2002 193401
    • (2002) Phys. Rev. B , vol.65 , pp. 193401
    • Zhao, J.1    Han, J.2    Lu, J.P.3
  • 37
    • 27744485099 scopus 로고    scopus 로고
    • First principles study of work functions of single wall carbon nanotubes
    • B. Shan, and K. Cho First principles study of work functions of single wall carbon nanotubes Phys. Rev. Lett. 94 2005 236602
    • (2005) Phys. Rev. Lett. , vol.94 , pp. 236602
    • Shan, B.1    Cho, K.2
  • 38
    • 49249087741 scopus 로고    scopus 로고
    • CO oxidation by BN-fullerene cage: Effect of impurity on the chemical reactivity
    • S. Nigam, and C. Majumder CO oxidation by BN-fullerene cage: effect of impurity on the chemical reactivity ACS Nano 2 2008 1422 1428
    • (2008) ACS Nano , vol.2 , pp. 1422-1428
    • Nigam, S.1    Majumder, C.2
  • 39
    • 0037937532 scopus 로고    scopus 로고
    • Oxygenation of carbon nanotubes: Atomic structure, energetics, and electronic structure
    • S. Dag, O. Gülseren, T. Yildirim, and S. Ciraci Oxygenation of carbon nanotubes: atomic structure, energetics, and electronic structure Phys. Rev. B 67 2003 165424
    • (2003) Phys. Rev. B , vol.67 , pp. 165424
    • Dag, S.1    Gülseren, O.2    Yildirim, T.3    Ciraci, S.4
  • 41
    • 0036680212 scopus 로고    scopus 로고
    • Coalescence of single-walled carbon nanotubes and formation of multi-walled carbon nanotubes under high-temperature treatments
    • K. Méténier, S. Bonnamy, F. Béguin, C. Journet, P. Bernier, M.L. de La Chapelle, O. Chauvet, and S. Lefrant Coalescence of single-walled carbon nanotubes and formation of multi-walled carbon nanotubes under high-temperature treatments Carbon 40 2002 1765 1773
    • (2002) Carbon , vol.40 , pp. 1765-1773
    • Méténier, K.1    Bonnamy, S.2    Béguin, F.3    Journet, C.4    Bernier, P.5    De La Chapelle, M.L.6    Chauvet, O.7    Lefrant, S.8
  • 43
    • 84872145832 scopus 로고    scopus 로고
    • Formation and structure of inhibitive molecular film of imidazole on iron surface
    • A. Kokalj Formation and structure of inhibitive molecular film of imidazole on iron surface Corros. Sci. 68 2013 195 203
    • (2013) Corros. Sci. , vol.68 , pp. 195-203
    • Kokalj, A.1


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