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
  • [31] Vibrational spectra of single wall carbon nanotubes
    Kuzmany, H
    Burger, B
    Thess, A
    Shalley, RE
    CARBON, 1998, 36 (5-6) : 709 - 712
  • [32] Electron spin in single wall carbon nanotubes
    Lindelof, PE
    Borggreen, J
    Jensen, A
    Nygård, J
    Poulsen, PR
    PHYSICA SCRIPTA, 2002, T102 : 22 - 29
  • [33] Solar synthesis of single wall carbon nanotubes
    Alvarez, L
    Guillard, T
    Anglaret, E
    Sauvajol, JL
    Bernier, P
    Flamant, G
    Olalde, G
    Laplaze, D
    Martinez, MT
    Benito, A
    Maser, WK
    ELECTRONIC PROPERTIES OF NOVEL MATERIALS - SCIENCE AND TECHNOLOGY OF MOLECULAR NANOSTRUCTURES, 1999, 486 : 254 - 257
  • [34] Colors of Single-Wall Carbon Nanotubes
    Wei, Nan
    Tian, Ying
    Liao, Yongping
    Komatsu, Natsumi
    Gao, Weilu
    Lyuleeva-Husemann, Alina
    Zhang, Qiang
    Hussain, Aqeel
    Ding, Er-Xiong
    Yao, Fengrui
    Halme, Janne
    Liu, Kaihui
    Kono, Junichiro
    Jiang, Hua
    Kauppinen, Esko I.
    ADVANCED MATERIALS, 2021, 33 (08)
  • [35] Piezoresistive behaviour of single wall carbon nanotubes
    Regoliosi, I
    Reale, A
    Di Carlo, I
    Orlanducci, S
    Terranova, ML
    Lugli, P
    2004 4TH IEEE CONFERENCE ON NANOTECHNOLOGY, 2004, : 149 - 151
  • [36] Ultralong single-wall carbon nanotubes
    Zheng, LX
    O'Connell, MJ
    Doorn, SK
    Liao, XZ
    Zhao, YH
    Akhadov, EA
    Hoffbauer, MA
    Roop, BJ
    Jia, QX
    Dye, RC
    Peterson, DE
    Huang, SM
    Liu, J
    Zhu, YT
    NATURE MATERIALS, 2004, 3 (10) : 673 - 676
  • [37] Colorings of single-wall carbon nanotubes
    Loyola, Mark L.
    De Las Ferias, Ma Louise Antonette N.
    Basilio, Antonio M.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2012, 227 (10): : 672 - 680
  • [38] Fluorinated single-wall carbon nanotubes
    Kudin, KN
    Bettinger, HF
    Scuseria, GE
    PHYSICAL REVIEW B, 2001, 63 (04)
  • [39] Lithium storage in single wall carbon nanotubes
    Gao, B
    Shimoda, H
    Tang, XP
    Kleinhammes, A
    Fleming, L
    Wu, Y
    Zhou, O
    NANONETWORK MATERIALS: FULLERENES, NANOTUBES AND RELATED SYSTEMS, 2001, 590 : 95 - 99
  • [40] Single Wall Carbon Nanotubes for Conductive Wiring
    Schauerman, Christopher M.
    Alvarenga, Jack
    Ganter, Matthew J.
    Seager, Thomas P.
    Landi, Brian J.
    Raffaelle, Ryne P.
    2009 IEEE INTERNATIONAL SYMPOSIUM ON SUSTAINABLE SYSTEMS AND TECHNOLOGY, 2009, : 40 - +
12345