Miao Nanxi, Gong Yutong, Zhang Huaiyu, Shen Qing, Yang Rui, Zhou Jianping, Hosono Hideo, Wang Junjie
State Key Laboratory of Solidification Processing, School of Materials Science and Engineering Department, Northwestern Polytechnical University, Xi'an, Shaanxi, 710072, P. R. China.
School of Physics & Information Technology, Shaanxi Normal University, Xi'an, 710119, P. R. China.
Angew Chem Int Ed Engl. 2023 Sep 4;62(36):e202308436. doi: 10.1002/anie.202308436. Epub 2023 Jul 28.
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 Hf InB . The synthesized 2D HfBO delivered a specific capacity of 420 mAh g 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.
二维（2D）过渡金属硼化物（MBenes）的实际应用因难以获得MBenes而受到严重阻碍，这是由于选择性蚀刻具有正交对称性的传统三元MAB相（ort-MAB）存在困难。在此，我们通过从头算预测和实验发现了一族三元六方MAB（h-MAB）相和二维六方MBenes（h-MBenes）。计算表明，与ort-MAB相比，三元h-MAB相是更适合用于制备MBenes的前驱体。基于这一预测，我们报道了通过从h-MAB HfInB中选择性去除In来实验合成h-MBene HfBO。合成的二维HfBO作为锂离子电池的负极材料展现出420 mAh g的比容量，证明了其在储能应用方面的潜力。这种h-MBene HfBO的发现为不断增长的二维材料家族增添了新成员，并为广泛的新型应用提供了机会。
