Quantum capacitance, electronic and optical properties of Janus Sc2CXY (X = O, S, se, Te; Y = F, cl, Br, I) MXenes: First-principle investigation

被引：0
|
作者：
Zhang, Rui-Zhou [1 ]
Ding, Hui [1 ]
Li, Xiao-Hong [1 ,2 ]
Cui, Hong-Ling [1 ]
机构：
[1] College of Physics and Engineering, Henan University of Science and Technology, Luoyang,471023, China
[2] Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-ferrous Metal new Materials and Advanced Processing Technology, Luoyang,471023, China
来源：
Journal of Energy Storage |
关键词：
Cathodes material - Density-functional-theory - Electronic and optical properties - Electronic energies - Electronics devices - First-principles investigations - Functionalized - Janus mxene - Property - Quantum capacitance;
D O I：
115167
中图分类号：
学科分类号：
摘要：
47
引用
收藏
相关论文
共 50 条
  • [1] Quantum capacitance, electronic and optical properties of Janus Sc2CXY (X = O, S, se, Te; Y = F, cl, Br, I) MXenes: First-principle investigation
    Zhang, Rui-Zhou
    Ding, Hui
    Li, Xiao-Hong
    Cui, Hong-Ling
    JOURNAL OF ENERGY STORAGE, 2025, 108
  • [2] Theoretical Studies on Structural, Electronic, Piezoelectric, and Optical Properties of Janus Sc2CXY (X ≠ Y, X/Y = F, Cl, Br, and I) MXenes
    Wang, Yanzong
    Hu, Nan
    Zhang, Qinfang
    Ma, Yihan
    Huang, Rui
    Gao, Benling
    Li, Zhongwen
    JOURNAL OF ELECTRONIC MATERIALS, 2024, 53 (03) : 1161 - 1168
  • [3] Theoretical Studies on Structural, Electronic, Piezoelectric, and Optical Properties of Janus Sc2CXY (X ≠ Y, X/Y = F, Cl, Br, and I) MXenes
    Yanzong Wang
    Nan Hu
    Qinfang Zhang
    Yihan Ma
    Rui Huang
    Benling Gao
    Zhongwen Li
    Journal of Electronic Materials, 2024, 53 : 1606 - 1616
  • [4] The structural, mechanical, electronic, and optical properties of Janus Hf2CXY (X, Y = O, S, Se or Te, X ≠ Y) MXenes
    Huang, R.
    Wang, Y. Z.
    Li, C. B.
    Dang, C.
    CHALCOGENIDE LETTERS, 2022, 19 (11): : 771 - 784
  • [5] Electronic properties, skyrmions and bimerons in Janus CrXY (X, Y = S, Se, Te, Cl, Br, I, and X ? Y) monolayers
    Guan, Zhihao
    Shen, Zhong
    Xue, Yufei
    Zhong, Tingting
    Wu, Xiaoping
    Song, Changsheng
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25 (36) : 24968 - 24975
  • [6] Theoretical insight into the electronic, optical, and photocatalytic properties and quantum capacitance of Sc2CT2 (T = F, P, Cl, Se, Br, O, Si, S, OH) MXenes
    Cui, Xing-Hao
    Li, Xiao-Hong
    Zhang, Rui-Zhou
    Cui, Hong-Ling
    Yan, Hai-Tao
    VACUUM, 2023, 207
  • [7] First-principles study on structural, vibrational, elastic, piezoelectric, and electronic properties of the Janus BiXY (X= S, Se, Te and Y = F, Cl, Br, I) monolayers
    Varjovi, M. Jahangirzadeh
    Durgun, E.
    PHYSICAL REVIEW MATERIALS, 2021, 5 (10)
  • [8] Quantum capacitance, structural, optical and electronic properties of Zr2CT2 (T = F, P, Cl, Se, Br, O, S, OH) MXenes: A DFT study
    Qin, Ming -Liang
    Wu, Shao-Yi
    Guo, Tian-Hao
    Wu, Meng -Qian
    Zhu, Qin-Sheng
    Kuang, Min-Quan
    SURFACES AND INTERFACES, 2024, 46
  • [9] A first principles study on the stability and electronic and optical properties of 2D SbXY (X = Se/Te and Y = I/Br) Janus layers
    Sudheer, A. E.
    Kumar, Amrendra
    Tejaswini, G.
    Vallinayagam, M.
    Posselt, M.
    Zschornak, M.
    Kamal, C.
    Murali, D.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (47) : 29371 - 29383
  • [10] Structural, electronic, magnetic, and optical properties of new TiXY (X = F and Cl; Y = S, Se and Te) Janus monolayers: A first-principles study
    Hoat, D. M.
    Nguyen, Duy Khanh
    On, Vo Van
    Rivas-Silva, J. F.
    Cocoletzi, Gregorio H.
    OPTIK, 2021, 244
12345