DFT study on the chemical stability of monolayer BeN4 and the electronic properties of graphene/BeN4 heterostructure

被引：4
|
作者：
Zhang, Wei [1 ]
Cui, Yang [1 ]
Zhu, Chuanhui [1 ]
Huang, Biyi [1 ]
Lou, Yaolin [1 ]
Yan, Shubin [1 ]
机构：
[1] Zhejiang Univ Water Resources & Elect Power, Coll Elect Engn, Hangzhou 310018, Peoples R China
来源：
VACUUM | 2023年 / 209卷
基金：
中国国家自然科学基金;
关键词：
BeN4; Two-dimensional nanomaterial; Chemical stability; Heterostructure; Anisotropic Dirac cones; ION BATTERIES; PHOSPHORENE; TRANSISTORS; ADSORPTION; CATALYSTS; SILICENE; GAS;
D O I：
10.1016/j.vacuum.2022.111802
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
BeN4 is a fascinating new two-dimensional nanomaterial that processes anisotropic Dirac cones. Based on firstprinciples calculations, we demonstrated the surface functionalized BeN4 surfers from adsorbing-induced demetallation which decreases its chemical stability. To solve this issue, coating BeN4 with graphene was proposed here to prevent unwanted surface reactions. In graphene/BeN4 heterostructure, the electronic properties of BeN4 are well preserved, and the suitable band alignment also remains the anisotropic transport capacity of BeN4.
引用
收藏
页数：9
相关论文
共 50 条
  • [1] Electronic and optical properties of semiconducting BeN4 nanoribbons
    Zhu, Mingrui
    Li, Qingfang
    Zhang, Lei
    Su, Jing
    Yang, Cuihong
    Wang, Haifeng
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2024, 191
  • [2] Tunable magnetic and electronic properties of armchair BeN4 nanoribbons
    Zhu, Mingrui
    Zhou, Wanxin
    Yang, Jiangtao
    Zhou, Jian
    Li, Qingfang
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25 (06) : 5029 - 5036
  • [3] Anisotropic Phononic and Electronic Thermal Transport in BeN4
    Tong, Zhen
    Pecchia, Alessandro
    Yam, ChiYung
    Zhou, Liujiang
    Dumitrica, Traian
    Frauenheim, Thomas
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2022, 13 (20): : 4501 - 4505
  • [4] Structural and electronic properties of novel BeN4/MgN4 nanoribbons
    Ponvijayakanthan, L.
    Jaiswal, Neeraj K.
    Ghosh, Haranath
    NANO EXPRESS, 2023, 4 (04):
  • [5] Tunable electronic structure and excellent catalytic properties of transition-metal-doped BeN4 monolayer
    Zhao, Wen-Hui
    Sun, Dong-Yin
    Deng, Zi-Qiang
    Liu, Shi-Yao
    Cao, Lie-Mao
    Deng, Xiao-Hui
    Yin, Wen-Jin
    Tang, Zhen-Kun
    CHEMICAL COMMUNICATIONS, 2024, 60 (98) : 14609 - 14612
  • [6] Vacancies and Stone-Wales type defects in monolayer BeN4
    Ponvijayakanthan, L.
    Jaiswal, Neeraj K.
    Ghosh, Haranath
    MATERIALS TODAY COMMUNICATIONS, 2024, 40
  • [7] Point defects in Dirac semimetal BeN4 monolayer and their interaction with gas molecules
    Erdem, Isa
    Bilican, Fuat
    Kart, Hasan Huseyin
    Kart, Sevgi Ozdemir
    Ersan, Fatih
    VACUUM, 2024, 222
  • [8] First principles study on yttrium decorated BeN4 monolayer for reversible hydrogen storage
    Sanyal, Gopal
    Nair, Heera T.
    Jha, Prafulla K.
    Chakraborty, Brahmananda
    JOURNAL OF ENERGY STORAGE, 2023, 68
  • [9] Theoretical study of nitrogen-rich BeN4 compounds
    Cheng, LP
    Li, QS
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (04): : 665 - 670
  • [10] Ti-decorated nitrogen-rich BeN4 monolayer for reversible hydrogen storage: DFT investigations
    Trivedi, Ravi
    Kaur, Surinder
    Garg, Nandini
    Chakraborty, Brahmananda
    APPLIED SURFACE SCIENCE, 2023, 622
12345