A DFT/TDDFT study on dual doped bilayer graphene containing Se and X (Ga,P,S)

被引:0
|
作者
Yadollah Safaei Ardakani
Mahmood Moradi
机构
[1] College of Sciences,Department of Physics
[2] Shiraz University,undefined
[3] Institute of Nanotechnology,undefined
[4] Shiraz University,undefined
来源
关键词
Computational Methods;
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] A DFT/TDDFT study on dual doped bilayer graphene containing Se and X (Ga,P,S)
    Ardakani, Yadollah Safaei
    Moradi, Mahmood
    [J]. EUROPEAN PHYSICAL JOURNAL B, 2020, 93 (06):
  • [2] DFT/TDDFT Investigation of Electronic, Magnetic, and Optical Properties of Graphene Containing Different Values of Se Impurity
    Ardakani, Y. S.
    Moradi, M.
    [J]. PHYSICS OF THE SOLID STATE, 2020, 62 (07) : 1262 - 1270
  • [3] DFT/TDDFT Investigation of Electronic, Magnetic, and Optical Properties of Graphene Containing Different Values of Se Impurity
    Y. S. Ardakani
    M. Moradi
    [J]. Physics of the Solid State, 2020, 62 : 1262 - 1270
  • [4] Bandgap engineering in Ga and P doped armchair graphene nanoribbons: DFT analysis
    Agrawal, Sonal
    Srivastava, Anurag
    Kaushal, Gaurav
    [J]. MATERIALS TODAY-PROCEEDINGS, 2022, 48 : 647 - 649
  • [5] Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements
    Denis, Pablo A.
    Iribarne, Federico
    [J]. CHEMICAL PHYSICS LETTERS, 2016, 658 : 152 - 157
  • [6] Ga and Ge-doped graphene structures: A DFT study of sensor applications for methanol
    Gecim, Gozde
    Ozekmekci, Mehtap
    Fellah, M. Ferdi
    [J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2020, 1180
  • [7] Oxygen Reduction Reaction Mechanisms on Al-Doped X-Graphene (X = N, P, and S) Catalysts in Acidic Medium: A Comparative DFT Study
    Bhatt, Mahesh Datt
    Lee, Guensik
    Lee, Jae Sung
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (46): : 26435 - 26441
  • [8] Adsorption of gas molecules on Ga-doped graphene and effect of applied electric field: A DFT study
    Liang, Xiong-Yi
    Ding, Ning
    Ng, Siu-Pang
    Wu, Chi-Man Lawrence
    [J]. APPLIED SURFACE SCIENCE, 2017, 411 : 11 - 17
  • [9] AsH3 adsorption on pristine, P-doped and Ga-doped graphynes: a DFT Study
    Mohammad Reza Poor Heravi
    Rzgar Tawfeeq Kareem
    Parvaneh Delir Kheirollahi Nezhad
    Abdol Ghaffar Ebadi
    Seyed Mohammad Shoaei
    Sheida Ahmadi
    Mohammed Abed Jawad
    [J]. Bulletin of Materials Science, 45
  • [10] Heterofullerene molecules C58X (X = S, Se, Te): A DFT study
    Liu, Feng-Ling
    [J]. CHEMICAL PHYSICS LETTERS, 2009, 471 (1-3) : 116 - 121