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Volumn 112, Issue 5, 2008, Pages 1396-1400

Analytically calculated polarizability of carbon nanotubes: Single wall, coaxial, and bundled systems

Author keywords

[No Author keywords available]

Indexed keywords

GAUSSIAN BASIS SETS; NANOTUBE BUNDLES; TIME-DEPENDENT ELECTRIC FIELDS;

EID: 39649101928     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp709931r     Document Type: Article
Times cited : (28)

References (40)
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    • (2005) Science , vol.309 , pp. 1215
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    • See, for example, ref 8
    • See, for example, ref 8.
  • 21
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    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keit
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision E.02; Gaussian, Inc.: Wallingford, CT, 2004.
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    • Frey, J. T.; Doren, D. J. TubeGen 3.1; University of Delaware, Newark, DE 2003.
    • Frey, J. T.; Doren, D. J. TubeGen 3.1; University of Delaware, Newark, DE 2003.
  • 26
    • 39649094321 scopus 로고    scopus 로고
    • Nanotubes are named on the basis of a chiral vector (n, m) which denotes which two carbons are superimposed when a sheet of graphene is rolled into a nanotube. Zigzag nanotubes are all of the form (n, 0), whereas armchair nanotubes are all of the form (n, n). Chiral nanotubes are all the nanotubes that are neither zigzag or armchair. Note that nanotubes with Mod(n - m, 3) = 0 are metallic, and Mod(n - m, 3) = 1 and Mod(n - m, 3) = 2 nanotubes are semiconducting and in some instances have been considered as three separate categories of nanotubes instead of two (metallic and semiconducting).
    • Nanotubes are named on the basis of a chiral vector (n, m) which denotes which two carbons are superimposed when a sheet of graphene is rolled into a nanotube. Zigzag nanotubes are all of the form (n, 0), whereas armchair nanotubes are all of the form (n, n). Chiral nanotubes are all the nanotubes that are neither zigzag or armchair. Note that nanotubes with Mod(n - m, 3) = 0 are metallic, and Mod(n - m, 3) = 1 and Mod(n - m, 3) = 2 nanotubes are semiconducting and in some instances have been considered as three separate categories of nanotubes instead of two (metallic and semiconducting).
  • 27
    • 39649088996 scopus 로고    scopus 로고
    • The van der Waals distance is assumed to be the same between nanotubes as it is for graphene sheets in graphite, 3.35 Å
    • The van der Waals distance is assumed to be the same between nanotubes as it is for graphene sheets in graphite, 3.35 Å.
  • 30
    • 0242593713 scopus 로고    scopus 로고
    • Note that this functional is a meta-GGA. Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 91, 146401.
    • Note that this functional is a meta-GGA. Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 91, 146401.
  • 37
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    • -6.
    • -6.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.