Torsional deformation modulation of the electronic structure and optical properties of molybdenum ditelluride systems doped with halogen atoms X (X = F, Cl, Br, I): a first-principles study

被引：0
|
作者：
Ying Dai
Guili Liu
Jianlin He
Junjie Ni
Guoying Zhang
机构：
[1] Shenyang University of Technology,College of Architecture and Civil Engineering
[2] School of Physics,undefined
[3] Shenyang Normal University,undefined
来源：
Journal of Molecular Modeling | 2023年 / 29卷
关键词：
First principles; Electronic structure; Optical properties; Halogen atom doping; Torsional deformation;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] Torsional deformation modulation of the electronic structure and optical properties of molybdenum ditelluride systems doped with halogen atoms X (X = F, Cl, Br, I): a first-principles study
    Dai, Ying
    Liu, Guili
    He, Jianlin
    Ni, Junjie
    Zhang, Guoying
    [J]. JOURNAL OF MOLECULAR MODELING, 2023, 29 (11)
  • [2] Bending deformation modulation of the optoelectronic properties of molybdenum ditelluride doped with nonmetallic atoms X (X = B, C, N, O): a first-principles study
    Ying Dai
    Guili Liu
    Jianlin He
    Zhonghua Yang
    Guoying Zhang
    [J]. Journal of Molecular Modeling, 2024, 30
  • [3] Bending deformation modulation of the optoelectronic properties of molybdenum ditelluride doped with nonmetallic atoms X (X = B, C, N, O): a first-principles study
    Dai, Ying
    Liu, Guili
    He, Jianlin
    Yang, Zhonghua
    Zhang, Guoying
    [J]. JOURNAL OF MOLECULAR MODELING, 2024, 30 (04)
  • [4] First-principles study on the structural, electronic and optical properties of BiOX (X=Cl, Br, I) crystals
    Zhao, Lijun
    Zhang, Xiaochao
    Fan, Caimei
    Liang, Zhenhai
    Han, Peide
    [J]. PHYSICA B-CONDENSED MATTER, 2012, 407 (17) : 3364 - 3370
  • [5] The structure, electronic, magnetic and optical properties of the Mn doped and Mn-X (X = F, Cl, Br, I and At) co-doped monolayer WS2: A first-principles study
    Xie, Ling-Yun
    Zhang, Jian-Min
    [J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2017, 702 : 138 - 145
  • [6] Electronic and thermoelectric properties of Janus AsSeX (X = Cl, Br, I) monolayers: A first-principles study
    Luo, Xin
    Pan, Lu
    Zhang, Tian
    Hu, Cui-E
    Cheng, Yan
    Geng, Hua-Yun
    [J]. MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2023, 166
  • [7] First-principles study of the magnetic and optical properties of PtSe2 doped with halogen elements F, Cl, and Br
    Li, Mengting
    Cen, Weifu
    Tian, Zean
    [J]. PHYSICA SCRIPTA, 2024, 99 (04)
  • [8] Electronic and adsorption properties of halogen molecule X2 (X=F, Cl) adsorbed arsenene: First-principles study
    Mateen, Muhammad
    Mushtaq, Muhammad
    Mebed, Abdelazim M.
    Althobaiti, Hanan A.
    Laref, Amel
    Khan, Niaz Ali
    Muntaha, Sidra Tul
    Al-Qaisi, Samah
    Ashraf, Ghulam Abbas
    [J]. HELIYON, 2024, 10 (17)
  • [9] First principles calculation of electronic structures and optical properties for γ-CuX(X = Cl, Br, I)
    Deng Jiao-Jiao
    Liu Bo
    Gu Mu
    Liu Xiao-Lin
    Huang Shi-Ming
    Ni Chen
    [J]. ACTA PHYSICA SINICA, 2012, 61 (03)
  • [10] First-principles study of the optical properties of PbFX (X = Cl, Br, I) compounds in its matlockite-type structure
    Reshak, A. H.
    Charifi, Z.
    Baaziz, H.
    [J]. EUROPEAN PHYSICAL JOURNAL B, 2007, 60 (04): : 463 - 468
12345