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Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB

Author

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  • Junjie Wang

    (Northwestern Polytechnical University
    Northwestern Polytechnical University
    Tokyo Institute of Technology)

  • Tian-Nan Ye

    (Tokyo Institute of Technology)

  • Yutong Gong

    (Tokyo Institute of Technology)

  • Jiazhen Wu

    (Tokyo Institute of Technology)

  • Nanxi Miao

    (Northwestern Polytechnical University
    Northwestern Polytechnical University)

  • Tomofumi Tada

    (Tokyo Institute of Technology)

  • Hideo Hosono

    (Tokyo Institute of Technology)

Abstract

Mn+1AXn phases are a large family of compounds that have been limited, so far, to carbides and nitrides. Here we report the prediction of a compound, Ti2InB2, a stable boron-based ternary phase in the Ti-In-B system, using a computational structure search strategy. This predicted Ti2InB2 compound is successfully synthesized using a solid-state reaction route and its space group is confirmed as P $$\bar 6$$ 6 ¯ m2 (No. 187), which is in fact a hexagonal subgroup of P63/mmc (No. 194), the symmetry group of conventional Mn+1AXn phases. Moreover, a strategy for the synthesis of MXenes from Mn+1AXn phases is applied, and a layered boride, TiB, is obtained by the removal of the indium layer through dealloying of the parent Ti2InB2 at high temperature under a high vacuum. We theoretically demonstrate that the TiB single layer exhibits superior potential as an anode material for Li/Na ion batteries than conventional carbide MXenes such as Ti3C2.

Suggested Citation

  • Junjie Wang & Tian-Nan Ye & Yutong Gong & Jiazhen Wu & Nanxi Miao & Tomofumi Tada & Hideo Hosono, 2019. "Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB," Nature Communications, Nature, vol. 10(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-10297-8
    DOI: 10.1038/s41467-019-10297-8
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    1. Mushtaq, Muhammad Asim & Arif, Muhammad & Yasin, Ghulam & Tabish, Mohammad & Kumar, Anuj & Ibraheem, Shumaila & Ye, Wen & Ajmal, Saira & Zhao, Jie & Li, Pengyan & Liu, Jianfang & Saad, Ali & Fang, Xia, 2023. "Recent developments in heterogeneous electrocatalysts for ambient nitrogen reduction to ammonia: Activity, challenges, and future perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 176(C).

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