Discovery of Two-dimensional Hexagonal MBene HfBO and Exploration on its Potential for Lithium-Ion Storage

被引：57

作者：

Miao, Nanxi ^{[1
,2
]}

Gong, Yutong ^{[1
,2
]}

Zhang, Huaiyu ^{[1
,2
]}

Shen, Qing ^{[1
,2
]}

Yang, Rui ^{[1
,2
]}

Zhou, Jianping ^{[3
]}

Hosono, Hideo ^{[4
]}

Wang, Junjie ^{[1
,2
]}

机构：

[1] Northwestern Polytech Univ, Sch Mat Sci, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China

[2] Northwestern Polytech Univ, Engn Dept, Xian 710072, Shaanxi, Peoples R China

[3] Shaanxi Normal Univ, Sch Phys & Informat Technol, Xian 710119, Peoples R China

[4] Tokyo Inst Technol, MDX Res Ctr Element Strategy, 4259 Nagatsuta Cho,Midori Ku, Yokohama, Kanagawa 2268503, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2023年 / 62卷 / 36期

基金：

中国国家自然科学基金; 中国博士后科学基金;

关键词：

DFT Calculations; High-Throughput Screening; Lithium-Ion Batteries; Two-Dimensional Materials; h-MBenes; METAL BORIDES; 2D MATERIALS; CARBIDE; EVOLUTION; LAMINATE; ANODES; MXENES;

D O I：

10.1002/anie.202308436

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The practical applications of two-dimensional (2D) transition-metal borides (MBenes) have been severely hindered by the lack of accessible MBenes because of the difficulties in the selective etching of traditional ternary MAB phases with orthorhombic symmetry (ort-MAB). Here, we discover a family of ternary hexagonal MAB (h-MAB) phases and 2D hexagonal MBenes (h-MBenes) by ab initio predictions and experiments. Calculations suggest that the ternary h-MAB phases are more suitable precursors for MBenes than the ort-MAB phases. Based on the prediction, we report the experimental synthesis of h-MBene HfBO by selective removal of In from h-MAB Hf2InB2. The synthesized 2D HfBO delivered a specific capacity of 420 mAh g(-1) as an anode material in lithium-ion batteries, demonstrating the potential for energy-storage applications. The discovery of this h-MBene HfBO added a new member to the growing family of 2D materials and provided opportunities for a wide range of novel applications.

引用

页数：11

共 55 条

[1] Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n=1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases [J].