High performance computational investigations of Stone-Wales defects and reactivity in single-walled carbon nanotubes: Applications toward hydrogen storage and sensors

被引：0
|
作者：
Dinadayalane, Tandabany C. [1 ]
Leszczynski, Jerzy [1 ]
机构：
[1] Jackson State Univ, Dept Chem & Biochem, Jackson, MS 39217 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 244卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
18-AEI
引用
收藏
页数：1
相关论文
共 50 条
  • [1] The reactivity of defects at the sidewalls of single-walled carbon nanotubes: The Stone-Wales defect
    Bettinger, HF
    JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (15): : 6922 - 6924
  • [2] Hydrogen storage in Titanium-doped single-walled carbon nanotubes with Stone-Wales defects
    Ghosh, Sarbani
    Padmanabhan, Venkat
    DIAMOND AND RELATED MATERIALS, 2017, 77 : 46 - 52
  • [3] Adsorption and surface reactivity on single-walled boron nitride nanotubes containing stone-wales defects
    An, Wei
    Wu, Xiaojun
    Yang, J. L.
    Zeng, X. C.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (38): : 14105 - 14112
  • [4] Hydrogen Physisorption on Stone-Wales Defect-embedded Single-walled Carbon Nanotubes
    Okati, Afsaneh
    Zolfaghari, Alireza
    Hashemi, Fariba Sadat
    Anousheh, Nasim
    Jooya, Hossein Zolfaghari
    FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES, 2009, 17 (03) : 324 - 335
  • [5] Interactions of metal phthalocyanines with Stone-Wales defects on single-walled carbon nanotubes: A theoretical study
    Marcela Bolivar-Pineda, Lina
    Basiuk, Vladimir A.
    JOURNAL OF APPLIED PHYSICS, 2020, 127 (02)
  • [6] Do Stone-Wales Defects Alter the Magnetic and Transport Properties of Single-Walled Carbon Nanotubes?
    Wu, Jianhua
    Hagelberg, Frank
    Dinadayalane, Tandabany C.
    Leszczynska, Danuta
    Leszczynski, Jerzy
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (45): : 22232 - 22241
  • [7] Stone-wales defects in single-walled boron nitride nanotubes: Formation energies, electronic structures, and reactivity
    Li, Yafei
    Zhou, Zhen
    Golberg, Dmitri
    Bando, Yoshio
    Schleyer, Paul von Rague
    Chen, Zhongfang
    JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (05): : 1365 - 1370
  • [8] Interactions of amine functional group with Stone-Wales defects on single-walled carbon nanotubes: A theoretical study
    Ben Doudou, Bessem
    Chen, Jun
    COMPUTATIONAL CONDENSED MATTER, 2022, 33
  • [9] Long-range interaction between Stone-Wales defects in zigzag single-walled carbon nanotubes
    Zhou, T
    Yang, L
    Wu, J
    Duan, WH
    Gu, BL
    PHYSICAL REVIEW B, 2005, 72 (19)
  • [10] Time-dependent fracture behavior of single-walled carbon nanotubes with and without Stone-Wales defects
    Ren, Yu
    Xiao, Tan
    Liao, Kin
    PHYSICAL REVIEW B, 2006, 74 (04)
12345