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Volumn 3, Issue 8, 2003, Pages 1037-1042

Fullerene coalescence in nanopeapods: A path to novel tubular carbon

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; FULLERENE;

EID: 0842312120     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl034283f     Document Type: Article
Times cited : (192)

References (32)
  • 2
    • 0342819025 scopus 로고
    • Iijima, S. Nature 1991, 354, 56-58.
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 26
    • 0000521551 scopus 로고
    • The confining potential that was used was obtained by assuming that the encapsulating nanotube consisted of a uniform distribution of carbon atoms. The interaction with the confined fullerene atoms was assumed to be of a Lennard-Jones type, with parameters given by Grifalco and Lad (J. Chem. Phys. 1956, 25, 693). The confining potential resulted from integrating the contribution from each surface element over the surface area of the nanotube. The resulting potential depends only on the positions of the fullerene atoms with respect to the axis of the confining nanotube.
    • (1956) J. Chem. Phys. , vol.25 , pp. 693
  • 29
    • 33645426115 scopus 로고
    • In this work, ab initio calculations were performed within the formalism of density functional theory (DFT) in the local density approximation (LDA). The interaction between valence electrons and ionic cores was described using norm-conserving pseudopotentials for carbon (Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993). Periodic boundary conditions were adopted along the axis of the tube and keeping a minimum 4.5-Å distance between repeated images along the two other directions. The electronic wave functions were expanded into plane waves with kinetic energy cutoffs of 50 Ry. Three k points were used to sample the 1D Brillouin zone.
    • (1991) Phys. Rev. B , vol.43 , pp. 1993
    • Troullier, N.1    Martins, J.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.