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

页数：9

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