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
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