Adsorption of Tetranitrocarbazole on the Surface of Six Carbon-Based Nanostructures: A Density Functional Theory Investigation

被引:0
|
作者
R. Ahmadi
M. R. Jalali Sarvestani
机构
[1] Department of Chemistry,
[2] Yadegar-e-Imam Khomeini (RAH) Shahre-Rey Branch,undefined
[3] Islamic Azad University,undefined
[4] Young Researchers and Elite Club,undefined
[5] Yadegar-e-Imam Khomeini (RAH) Shahre–Rey Branch,undefined
[6] Islamic Azad University,undefined
关键词
Tetranitrocarbazole (TNC); Density functional theory (DFT); adsorption; carbon nanostructures; explosives;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:198 / 208
页数:10
相关论文
共 50 条
  • [21] Adsorption on Carbon-Based Materials
    Belver, Carolina
    Bedia, Jorge
    C-JOURNAL OF CARBON RESEARCH, 2024, 10 (04):
  • [22] Ammonia Adsorption on SiC Nanotubes: A Density Functional Theory Investigation
    Ganji, M. D.
    Seyed-Aghaei, N.
    Taghavi, M. M.
    Rezvani, M.
    Kazempour, F.
    FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES, 2011, 19 (04) : 289 - 299
  • [23] Density functional theory investigation on hydrogen adsorption on buckled aluminene
    Villagracia, A. R.
    Ong, H. L.
    INTERNATIONAL CONFERENCE ON SUSTAINABLE ENERGY AND GREEN TECHNOLOGY 2019, 2020, 463
  • [24] Density functional theory investigation of benzenethiol adsorption on Au(111)
    Nara, J
    Higai, S
    Morikawa, Y
    Ohno, T
    JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (14): : 6705 - 6711
  • [25] Density functional theory investigation on selective adsorption of VOCs on borophene
    Wenlang Li
    Quanguo Jiang
    Didi Li
    Zhimin Ao
    Taicheng An
    ChineseChemicalLetters, 2021, 32 (09) : 2803 - 2806
  • [26] Density functional theory investigation on selective adsorption of VOCs on borophene
    Li, Wenlang
    Jiang, Quanguo
    Li, Didi
    Ao, Zhimin
    An, Taicheng
    CHINESE CHEMICAL LETTERS, 2021, 32 (09) : 2803 - 2806
  • [27] Selective adsorption of octadecylamine hydrochloride on the surface of KCl crystal: adsorption energy based on density functional theory
    Enze Li
    Peiyuan Ye
    Wenting Cheng
    Huaigang Cheng
    Zhiping Du
    Fangqin Cheng
    Adsorption, 2019, 25 : 1553 - 1558
  • [28] Selective adsorption of octadecylamine hydrochloride on the surface of KCl crystal: adsorption energy based on density functional theory
    Li, Enze
    Ye, Peiyuan
    Cheng, Wenting
    Cheng, Huaigang
    Du, Zhiping
    Cheng, Fangqin
    ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2019, 25 (08): : 1553 - 1558
  • [29] Formaldehyde adsorption on carbon nanotubes fragment by density functional theory
    Chen, D.
    Yuan, Yong J.
    INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2017, 31 (16-19):
  • [30] Nitrotyrosine adsorption on carbon nanotube: a density functional theory study
    R. Majidi
    A. R. Karami
    Indian Journal of Physics, 2014, 88 : 483 - 487