Increased reactivity of single wall carbon nanotubes at carbon ad-dimer defect sites

被引：23
|
作者：
Horner, D. A. [1 ,4 ,5 ]
Redfern, P. C. [2 ]
Sternberg, M. [3 ]
Zapol, P. [1 ,2 ,3 ]
Curtiss, L. A. [1 ,2 ,3 ]
机构：
[1] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA
[2] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA
[3] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA
[4] N Cent Coll, Dept Chem, Naperville, IL 60540 USA
[5] N Cent Coll, Dept Phys, Naperville, IL 60540 USA
来源：
CHEMICAL PHYSICS LETTERS | 2007年 / 450卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2007.10.079
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：
A quantum chemical study of the reactivity of the 7-5-5-7 topological defect, corresponding to a carbon ad-dimer, on a (5,5) armchair nanotube is reported. The energies indicate that the defect is more reactive by 46-70 kcal/mol towards adsorbates containing pi-bonds, such as C2H4, O-2, and O-3, than are pristine nanotubes or the Stone-Wales 5-7-7-5 defect. The enhanced reactivity of this defect was also obtained for other sizes and types of carbon nanotubes. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码：71 / 75
页数：5
相关论文
共 50 条
  • [41] Hyperelastic behavior of single wall carbon nanotubes
    Center for Aerospace Research and Education, University of California at Irvine, 5251 California Ave., Irvine, CA 92612
    Journal of Applied Physics, 2007, 101 (06):
  • [42] STM on suspended single wall carbon nanotubes
    Hassanien, A
    Tokumoto, M
    Shimizu, T
    Tokumoto, H
    THIN SOLID FILMS, 2004, 464 : 338 - 341
  • [43] Thermochemistry of fluorinated single wall carbon nanotubes
    Bettinger, HF
    Kudin, KN
    Scuseria, GE
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (51) : 12849 - 12856
  • [44] Excitons in single-wall carbon nanotubes
    Bulashevich, K. A.
    Suris, R. A.
    Rotkin, S. V.
    International Journal of Nanoscience, Vol 2, No 6, 2003, 2 (06): : 521 - 526
  • [45] Single wall carbon nanotubes and their electrical properties
    薛增泉
    刘惟敏
    侯士敏
    施祖进
    顾镇南
    刘虹雯
    赵兴钰
    张兆祥
    吴绵雷
    彭练矛
    吴全德
    Science China Mathematics, 2000, (11) : 1182 - 1188
  • [46] Carbon single wall nanotubes elaboration and properties
    GDPC, University of Montpellier II, 34095 Montpellier, Cedex 5, France
    不详
    不详
    不详
    Carbon, 5-6 (675-680):
  • [47] Thermal expansion of single wall carbon nanotubes
    Jiang, H
    Liu, B
    Huang, Y
    Hwang, KC
    JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME, 2004, 126 (03): : 265 - 270
  • [48] Single wall carbon nanotubes and their electrical properties
    薛增泉
    刘惟敏
    侯士敏
    施祖进
    顾镇南
    刘虹雯
    赵兴钰
    张兆祥
    吴绵雷
    彭练矛
    吴全德
    ScienceinChina,SerA., 2000, Ser.A.2000 (11) : 1182 - 1188
  • [49] Ultralong single-wall carbon nanotubes
    L. X. Zheng
    M. J. O'Connell
    S. K. Doorn
    X. Z. Liao
    Y. H. Zhao
    E. A. Akhadov
    M. A. Hoffbauer
    B. J. Roop
    Q. X. Jia
    R. C. Dye
    D. E. Peterson
    S. M. Huang
    J. Liu
    Y. T. Zhu
    Nature Materials, 2004, 3 : 673 - 676
  • [50] Separation of single wall carbon nanotubes.
    Papadimitrakopoulos, F
    Luo, ZT
    Kim, SN
    Ju, SY
    Li, RF
    Vaddiraju, S
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U942 - U942
12345