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Volumn 6, Issue SUPPL. 1, 2006, Pages

A diameter-dependent separation of semiconducting from metallic single-wall carbon nanotubes by using nitronium ions

Author keywords

Carbon nanotubes; Chirality; Electronic structure; Resonance Raman spectroscopy; Separation of semiconducting nanotube; UV visible near IR spectroscopy

Indexed keywords

ADSORPTION; ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; RAMAN SPECTROSCOPY; SEMICONDUCTOR MATERIALS; ULTRAVIOLET SPECTROSCOPY;

EID: 33746341164     PISSN: 15671739     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cap.2006.01.020     Document Type: Article
Times cited : (12)

References (62)
  • 1
  • 37
    • 33746340724 scopus 로고    scopus 로고
    • S. Baroni, A. Dal Corso, S. de Gironcoli, P.Giannozzi, http://www.pwscf.org.
  • 40
    • 33746336389 scopus 로고    scopus 로고
    • note
    • A special care was taken in the choice of the number of layers particularly for an armchair tube because of the presence of π and π* overlap at the Fermi level, which was located at 2/3 from the zone center. It was therefore crucial to choose an effective sampling point at the Fermi level to reveal the metallic characteristics. We chose 18 (multiple of six) layers for this purpose and the total energy change from the choice of 24 layers was negligible. The total energy was saturated at these layers. It is interesting to see the dependence on the number of layers particularly on armchair nanotubes, which is related to the location of the Fermi level at 2/3 from the zone center.
  • 58
    • 33746352912 scopus 로고    scopus 로고
    • note
    • 0 is the tight-binding parameter of the nearest neighbor overlap integral (2.9 ± 0.5 eV), and d is diameters in nanometers.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.