• 文献标题:   DFT study on the chemical stability of monolayer BeN4 and the electronic properties of graphene/BeN4 heterostructure
  • 文献类型:   Article
  • 作  者:   ZHANG W, CUI Y, ZHU CH, HUANG BY, LOU YL, YAN SB
  • 作者关键词:   ben4, twodimensional nanomaterial, chemical stability, heterostructure, anisotropic dirac cone
  • 出版物名称:   VACUUM
  • ISSN:   0042-207X EI 1879-2715
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.vacuum.2022.111802 EA JAN 2023
  • 出版年:   2023

▎ 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.