Electronic properties of open-ended single wall carbon nanotubes

被引：10
|
作者：
Türker, L
Erkoç, S
机构：
[1] Middle E Tech Univ, Dept Chem, TR-06531 Ankara, Turkey
[2] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2002年 / 577卷 / 2-3期
关键词：
carbon nanotubes; electronic structure; semiempirical methods; AM1; method; open-ended tubes;
D O I：
10.1016/S0166-1280(01)00661-3
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We have investigated the electrostatic, charge and orbital properties of open-ended single-wall carbon nanotubes in zigzag geometry. The calculations were performed by using the AM1-RHF semiempirical molecular orbital method. It has been found that the tubes with smaller radius behave like a metallic solid whereas the tubes with larger radius behave like a metallic hollow cylinder. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：131 / 135
页数：5
相关论文
共 50 条
  • [1] Numerical analysis of open-ended single-wall carbon nanotubes optical properties
    Bokarev, Andrey N.
    Plastun, Inna L.
    SARATOV FALL MEETING 2014: OPTICAL TECHNOLOGIES IN BIOPHYSICS AND MEDICINE XVI; LASER PHYSICS AND PHOTONICS XVI; AND COMPUTATIONAL BIOPHYSICS, 2015, 9448
  • [2] Argon adsorption in open-ended single-wall carbon nanotubes
    Rols, S
    Johnson, MR
    Zeppenfeld, P
    Bienfait, M
    Vilches, OE
    Schneble, J
    PHYSICAL REVIEW B, 2005, 71 (15)
  • [3] Nonlinear optical properties of open-ended armchair single-wall carbon nanotubes (SW-CNT)
    Plastun, Inna L.
    Zimnyakov, Dmitry A.
    Bokarev, Andrey N.
    Yuvchenko, Sergey A.
    2014 INTERNATIONAL CONFERENCE LASER OPTICS, 2014,
  • [4] Open-ended modified single-wall carbon nanotubes: A theoretical study of the effects of purification
    Kar, Tapas
    Akdim, Brahim
    Duan, Xiaofeng
    Pachter, Ruth
    CHEMICAL PHYSICS LETTERS, 2006, 423 (1-3) : 126 - 130
  • [5] STRESS DISTRIBTUION ON OPEN-ENDED CARBON NANOTUBES
    Momeni, Kasra
    Alasty, Aria
    MICRONANO2008-2ND INTERNATIONAL CONFERENCE ON INTEGRATION AND COMMERCIALIZATION OF MICRO AND NANOSYSTEMS, PROCEEDINGS, 2008, : 343 - 351
  • [6] Embeddability of open-ended carbon nanotubes in hypercubes
    Zhang, Heping
    Wang, Guangfu
    COMPUTATIONAL GEOMETRY-THEORY AND APPLICATIONS, 2010, 43 (05): : 524 - 534
  • [7] The electronic structures and properties of open-ended and capped carbon nanoneedles
    Wang, JL
    Mezey, PG
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (02) : 801 - 807
  • [8] An easy single step route to synthesize open-ended carbon nanotubes
    Shanmugam, Sangaraju
    Gedanken, Aharon
    CARBON, 2008, 46 (12) : 1615 - 1619
  • [9] Electronic structure and field-emission characteristics of open-ended single-walled carbon nanotubes
    Zhou, G
    Duan, WH
    Gu, BL
    PHYSICAL REVIEW LETTERS, 2001, 87 (09)
  • [10] DFT studies of OH-functionalized open-ended zigzag, armchair, and chiral single wall carbon nanotubes
    Chelmecka, E.
    Pasterny, K.
    Kupka, T.
    Stobinski, L.
    PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2011, 208 (08): : 1774 - 1777
12345