Out-Of-Plane Ordered Laminate Borides and Their 2D Ti-Based Derivative from Chemical Exfoliation,Advanced Materials

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Out-Of-Plane Ordered Laminate Borides and Their 2D Ti-Based Derivative from Chemical Exfoliation
Advanced Materials ( IF 27.4 ) Pub Date : 2021-08-05 , DOI: 10.1002/adma.202008361
Martin Dahlqvist _{1,

2} , Jie Zhou _{1,

2} , Ingemar Persson ₁ , Bilal Ahmed _{1,

2} , Jun Lu ₁ , Joseph Halim _{1,

2} , Quanzheng Tao _{1,

2} , Justinas Palisaitis ₁ , Jimmy Thörnberg _{1,

2} , Pernilla Helmer _{1,

2} , Lars Hultman ₁ , Per O Å Persson ₁ , Johanna Rosen _{1,

2}

Affiliation

Exploratory theoretical predictions in uncharted structural and compositional space are integral to materials discoveries. Inspired by M₅SiB₂ (T2) phases, the finding of a family of laminated quaternary metal borides, M′₄M″SiB₂, with out-of-plane chemical order is reported here. 11 chemically ordered phases as well as 40 solid solutions, introducing four elements previously not observed in these borides are predicted. The predictions are experimentally verified for Ti₄MoSiB₂, establishing Ti as part of the T2 boride compositional space. Chemical exfoliation of Ti₄MoSiB₂ and select removal of Si and MoB₂ sub-layers is validated by derivation of a 2D material, TiO_xCl_y, of high yield and in the form of delaminated sheets. These sheets have an experimentally determined direct band gap of ≈4.1 eV, and display characteristics suitable for supercapacitor applications. The results take the concept of chemical exfoliation beyond currently available 2D materials, and expands the envelope of 3D and 2D candidates, and their applications.

中文翻译：

平面外有序层状硼化物及其化学剥离的二维钛基衍生物

未知结构和成分空间中的探索性理论预测是材料发现不可或缺的一部分。受M ₅ SiB ₂ (T2) 相的启发，本文报道了一类具有面外化学顺序的层状四元金属硼化物M ' ₄M 'SiB _{2 的}发现。预测了 11 个化学有序相和 40 个固溶体，引入了以前在这些硼化物中未观察到的四种元素。对 Ti ₄ MoSiB ₂的预测进行了实验验证，确定 Ti 作为 T2 硼化物组成空间的一部分。Ti ₄ MoSiB _{2 的}化学剥离Si和MoB ₂子层的选择性去除通过衍生2D材料TiO _x Cl _y来验证，该材料具有高产率且呈分层板的形式。这些片材具有通过实验确定的 ≈4.1 eV 的直接带隙，并具有适合超级电容器应用的显示特性。结果将化学剥离的概念超越了当前可用的 2D 材料，并扩展了 3D 和 2D 候选材料及其应用的范围。

更新日期：2021-09-21

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