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

Author:

Miao Nanxi1,Gong Yutong1,Zhang Huaiyu1,Shen Qing1,Yang Rui1,Zhou Jianping2,Hosono Hideo3,Wang Junjie1ORCID

Affiliation:

1. State Key Laboratory of Solidification Processing School of Materials Science and Engineering Department Northwestern Polytechnical University Xi'an Shaanxi 710072 P. R. China

2. School of Physics & Information Technology Shaanxi Normal University Xi'an 710119 P. R. China

3. MDX Research Center for Element Strategy Tokyo Institute of Technology 4259 Nagatsuta-cho, Midori-ku Yokohama Kanagawa 226-8503 Japan

Abstract

AbstractThe 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.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

Postdoctoral Research Foundation of China

Northwestern Polytechnical University

Tokyo Institute of Technology

Publisher

Wiley

Subject

General Chemistry,Catalysis

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