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Volumn 114, Issue 3, 2010, Pages 1528-1533

Local and global electronic effects in single and double boron-doped carbon nanotubes

Author keywords

[No Author keywords available]

Indexed keywords

BORON ATOM; BORON-DOPED; CARBON MATERIAL; CONJUGATION SYSTEM; DENSITY-FUNCTIONAL CALCULATIONS; DOPING EFFECTS; DRIVING FORCES; ELECTRON DENSITIES; ELECTRONIC EFFECTS; ENERGY COST; FOREIGN ATOMS; HETEROATOMS; IONIC MECHANISMS; LOCAL CHARACTERISTICS; MOLECULAR SURFACES; POSITIVELY CHARGED; STRUCTURAL CHANGE;

EID: 77249121757     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp910625w     Document Type: Article
Times cited : (26)

References (36)
  • 1
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • Iijima, S. Helical Microtubules of Graphitic Carbon. Nature 1991, 354, 56-58.
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 2
    • 2342607490 scopus 로고    scopus 로고
    • Electronic and photonic properties of doped carbon nanotubes
    • Zhao, J.; Xi, R.-H. Electronic and Photonic Properties of Doped Carbon Nanotubes. J. Nanosci. Nanotechnol. 2003, 3, 459-478.
    • (2003) J. Nanosci. Nanotechnol. , vol.3 , pp. 459-478
    • Zhao, J.1    Xi, R.-H.2
  • 3
    • 10844222975 scopus 로고    scopus 로고
    • Finite-size effect and wall polarization in a carbon nanotube channel
    • Lu, D.; Li, Y.; Rotkin, S. V.; ravaioli, U.; Schulten, K. Finite-Size Effect and Wall Polarization in a Carbon Nanotube Channel. Nano Lett. 2004, 4, 2383-2387.
    • (2004) Nano Lett. , vol.4 , pp. 2383-2387
    • Lu, D.1    Li, Y.2    Rotkin, S.V.3    Ravaioli, U.4    Schulten, K.5
  • 4
    • 0034629474 scopus 로고    scopus 로고
    • Extreme oxygen sensitivity of electronic properties of carbon nanotubes
    • Collins, P. G.; Bradley, K.; Ishigami, M.; Zettl, A. Extreme Oxygen Sensitivity of Electronic Properties of Carbon Nanotubes. Science 2000, 287, 1801-1804.
    • (2000) Science , vol.287 , pp. 1801-1804
    • Collins, P.G.1    Bradley, K.2    Ishigami, M.3    Zettl, A.4
  • 5
    • 34247094767 scopus 로고    scopus 로고
    • A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubes
    • Zurek, E.; Pickard, C. J.; Autschbach, J. A Density Functional Study of the 13C NMR Chemical Shifts in Functionalized Single-Walled Carbon Nanotubes. J. Am. Chem. Soc. 2007, 129, 4430-4439.
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 4430-4439
    • Zurek, E.1    Pickard, C.J.2    Autschbach, J.3
  • 6
    • 0000960814 scopus 로고    scopus 로고
    • SingleWalled B-doped carbon B/N-doped carbon and BN nanotubes synthesized from single-walled carbon nanotubes through a substitution reaction
    • Goldberg, D.; Bando, Y.; Han, W.; Kurashima, K.; Sato, T. SingleWalled B-Doped Carbon, B/N-Doped Carbon and BN Nanotubes Synthesized from Single-Walled Carbon Nanotubes Through a Substitution Reaction. Chem. Phys. Lett. 1999, 308, 337-342.
    • (1999) Chem. Phys. Lett. , vol.308 , pp. 337-342
    • Goldberg, D.1    Bando, Y.2    Han, W.3    Kurashima, K.4    Sato, T.5
  • 8
    • 33744714930 scopus 로고
    • Atomic structure and doping of microtubules
    • Li, J.-Y.; Bernholc, J. Atomic Structure and Doping of Microtubules. Phys. Rev. B 1993, 47, 1708-1711.
    • (1993) Phys. Rev. B , vol.47 , pp. 1708-1711
    • Li, J.-Y.1    Bernholc, J.2
  • 9
    • 9644277034 scopus 로고    scopus 로고
    • Synthesis and Raman characterisation of boron-doped single-walled carbon nanotubes
    • McGuire, K.; Gothard, N.; Gai, P. L.; Dresselhaus, M. S.; Sumanasekera, G.; Rao, A. M. Synthesis and Raman Characterisation of Boron-Doped Single-Walled Carbon Nanotubes. Carbon 2005, 43, 219-227.
    • (2005) Carbon , vol.43 , pp. 219-227
    • McGuire, K.1    Gothard, N.2    Gai, P.L.3    Dresselhaus, M.S.4    Sumanasekera, G.5    Rao, A.M.6
  • 14
    • 33748894496 scopus 로고    scopus 로고
    • Small-radius clean and metal-doped boron carbide nanotubes: A density functional study
    • Ponomarenko, O.; Radny, M. W.; Smith, P. V. Small-Radius Clean and Metal-Doped Boron Carbide Nanotubes: A Density Functional Study. Phys. Rev. B 2006, 74, 125421.
    • (2006) Phys. Rev. B , vol.74 , pp. 125421
    • Ponomarenko, O.1    Radny, M.W.2    Smith, P.V.3
  • 15
    • 0042374097 scopus 로고    scopus 로고
    • Characterization of surface electrostatic potentials of same (5, 5) and (N, 1) carbon and boron/nitrogen model nanotubes
    • Peralta-Inga, Z.; Lane, P.; Murray, J. S.; Boyd, S.; Grice, M. E.; O'Connor, C. J.; Politzer, P. Characterization of Surface Electrostatic Potentials of Same (5, 5) and (N, 1) Carbon and Boron/Nitrogen Model Nanotubes. Nano Lett. 2003, 3, 21-28.
    • (2003) Nano Lett. , vol.3 , pp. 21-28
    • Peralta-Inga, Z.1    Lane, P.2    Murray, J.S.3    Boyd, S.4    Grice, M.E.5    O'Connor, C.J.6    Politzer, P.7
  • 16
    • 33748989018 scopus 로고    scopus 로고
    • Nature of substitutional impurity atom B/N in zigzag single-wall carbon nanotubes revealed by first-principle calculations
    • DOI 10.1109/TNANO.2006.880884, 1695960
    • Yu, S. S.; Zheng, W. T.; Wen, Q. B.; Zheng, B.; Tian, H. W.; Jiang, Q. Nature of Substitutional Impurity Atom B/N in Zigzag SingleWall Carbon Nanotubes Revealed by First-Principle Calculations. IEEE Trans. Nanotechnol. 2006, 5, 595-598. (Pubitemid 44444403)
    • (2006) IEEE Transactions on Nanotechnology , vol.5 , Issue.5 , pp. 595-598
    • Yu, S.S.1    Zheng, W.T.2    Wen, Q.B.3    Zheng, B.4    Tian, H.W.5    Jiang, Q.6
  • 19
    • 67349158295 scopus 로고    scopus 로고
    • Boron substituted graphene: Energy landscape for hydrogen adsorption
    • Firlej, L.; Kuchta, B.; Wexler, C.; Pfeifer, P. Boron Substituted Graphene: Energy Landscape for Hydrogen Adsorption. Adsorption 2009, 15, 312-317.
    • (2009) Adsorption , vol.15 , pp. 312-317
    • Firlej, L.1    Kuchta, B.2    Wexler, C.3    Pfeifer, P.4
  • 20
    • 72049114207 scopus 로고    scopus 로고
    • Enhanced hydrogen adsorption in boron substituted carbon nanospaces
    • Firlej, L.; Roszak, S.; Kuchta, B.; Pfeifer, P.; Wexler, C. Enhanced Hydrogen Adsorption in Boron Substituted Carbon Nanospaces. J. Chem. Phys. 2009, 131, 164702-164704.
    • (2009) J. Chem. Phys. , vol.131 , pp. 164702-164704
    • Firlej, L.1    Roszak, S.2    Kuchta, B.3    Pfeifer, P.4    Wexler, C.5
  • 22
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. the role of exact exchange
    • Becke, D. Density-Functional Thermochemistry. III. The Role of Exact Exchange. J. Chem. Phys. 1993, 98, 5648-5652.
    • (1993) J. Chem. Phys , vol.98 , pp. 5648-5652
    • Becke, D.1
  • 23
    • 0000216001 scopus 로고
    • Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis
    • Vosko, S. H.; Wilk, L.; Nusiar, M. Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: a Critical Analysis. Can. J. Phys. 1980, 58, 1200-1211.
    • (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusiar, M.3
  • 24
    • 0345491105 scopus 로고
    • Development of the colle-salvetti correlation-energy formula into a functional of the electron energy
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Energy. Phys. Rev. B 1988, 37, 785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 25
    • 0347170005 scopus 로고
    • Self-consistent molecular orbital methods. XII. further extensions of gaussian - type basis sets for use in molecular orbital studies of organic molecules
    • Hehre, W. J.; Ditchfield, R.; Pople, J. A. Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian - Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules. J. Chem. Phys. 1972, 56, 2257-2261.
    • (1972) J. Chem. Phys , vol.56 , pp. 2257-2261
    • Hehre, W.J.1    Ditchfield, R.2    Pople, J.A.3
  • 26
    • 33751054402 scopus 로고
    • Self-consistent molecular orbital methods. XV. extended gaussian-type basis sets for lithium beryllium, and boron
    • Dill, J. D.; Pople, J. A. Self-Consistent Molecular Orbital Methods. XV. Extended Gaussian-Type Basis Sets for Lithium, Beryllium, and Boron. J. Chem. Phys. 1975, 62, 2921-2923.
    • (1975) J. Chem. Phys. , vol.62 , pp. 2921-2923
    • Dill, J.D.1    Pople, J.A.2
  • 27
    • 33748545144 scopus 로고
    • The influence of polarization functions on molecular orbital hydrogenation energies
    • Hariharan, P. C.; Pople, J. A. The Influence of Polarization Functions on Molecular Orbital Hydrogenation Energies. Theor. Chim. Acta 1973, 28, 213-222.
    • (1973) Theor. Chim. Acta , vol.28 , pp. 213-222
    • Hariharan, P.C.1    Pople, J.A.2
  • 28
    • 0011083499 scopus 로고
    • Intermolecular interactions from a natural bond orbital donor-acceptor viewpoint
    • Reed, A. E.; Curtiss, L. A.; Weinhold, F. Intermolecular Interactions From a Natural Bond Orbital, Donor-Acceptor Viewpoint. Chem. Rev. 1988, 88, 899-926.
    • (1988) Chem. Rev. , vol.88 , pp. 899-926
    • Reed, A.E.1    Curtiss, L.A.2    Weinhold, F.3
  • 29
    • 32944467172 scopus 로고    scopus 로고
    • 03 Revision C.02; Gaussian Inc.: Wallingford CT
    • Frish, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian
    • Frish, M.J.1    Trucks, G.W.2    Schlegel, H.B.3
  • 31
    • 0033963034 scopus 로고    scopus 로고
    • Molden: A pre- and post-processing program for molecular and electronic structures
    • Schaftenaar, G.; Noordik, J. H. Molden: A Pre- and Post-Processing Program for Molecular and Electronic Structures. J. Comput.-Aided Mol. Des. 2000, 14, 123-129.
    • (2000) J. Comput.-Aided Mol. Des. , vol.14 , pp. 123-129
    • Schaftenaar, G.1    Noordik, J.H.2
  • 32
    • 0036497977 scopus 로고    scopus 로고
    • Electrically conducting boron-doped multi-walled carbon nanotube bundles
    • Hsu, W. K.; Nakajima, T. Electrically Conducting Boron-Doped Multi-Walled Carbon Nanotube Bundles. Carbon 2002, 40, 445-465.
    • (2002) Carbon , vol.40 , pp. 445-465
    • Hsu, W.K.1    Nakajima, T.2
  • 33
    • 0040156687 scopus 로고    scopus 로고
    • Scanning tunelling microscope study of boron-doped highly oriented pyrolitic graphite
    • Endo, M.; Hayashi, T.; Hong, S.-H.; Enoki, T.; Dresselhaus, M. S. Scanning Tunelling Microscope Study of Boron-Doped Highly Oriented Pyrolitic Graphite. J. Appl. Phys. 2001, 90, 5670-5674.
    • (2001) J. Appl. Phys , vol.90 , pp. 5670-5674
    • Endo, M.1    Hayashi, T.2    Hong, S.-H.3    Enoki, T.4    Dresselhaus, M.S.5
  • 34
    • 2642587134 scopus 로고    scopus 로고
    • Substitutional si doping in deformed carbon nanotubes
    • Fagan, S. B.; Mota, R.; da Silva, A. J. R.; Fazzio, A. Substitutional Si Doping in Deformed Carbon Nanotubes. Nano Lett. 2004, 4, 975-977.
    • (2004) Nano Lett. , vol.4 , pp. 975-977
    • Fagan, S.B.1    Mota, R.2    Da Silva, A.J.R.3    Fazzio, A.4
  • 35
    • 28844501197 scopus 로고    scopus 로고
    • Hydrogen storage in nanostructured carbons by spillover: Bridge-building enhancement
    • Lachawiec, A. J.; Qi, G.; Yang, R. T. Hydrogen Storage in Nanostructured Carbons by Spillover: Bridge-Building Enhancement. Langmuir 2005, 21, 11418-11424.
    • (2005) Langmuir , vol.21 , pp. 11418-11424
    • Lachawiec, A.J.1    Qi, G.2    Yang, R.T.3


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