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

Wang, Junjie; Ye, Tian Nan; Gong, Yutong; Wu, Jiazhen; Miao, Nanxi; Tada, Tomofumi; Hosono, Hideo

doi:10.1038/s41467-019-10297-8

Cited by 211 publications

(211 citation statements)

References 42 publications

(47 reference statements)

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“…Borophane sheets were obtained by exfoliation of a layered MgB 2 superconductor, while to the best of our knowledge there are no experimental reports about the synthesis of 2D MBenes. Recent studies on the partial topochemical deintercalation of Al from layered MoAlB or complete removal of In to produce a layered structure TiB from Ti 2 InB 2 signifies the importance of the judicial choice of suitable precursors for the preparation of novel 2D MBenes.…”

Section: Introductionmentioning

confidence: 80%

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

et al. 2019

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Two novel lithium nickel boride polymorphs, RT‐LiNiB and HT‐LiNiB, with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by a hydride route with LiH as the lithium source. Unique among the known ternary transition‐metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with a B–B pair at the center. A comprehensive study using a combination of single crystal/synchrotron powder X‐ray diffraction, solid‐state 7Li and 11B NMR spectroscopy, scanning transmission electron microscopy, quantum‐chemical calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors for exfoliation studies, thus paving a way toward two‐dimensional transition‐metal borides, MBenes.

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Section: Introductionmentioning

confidence: 80%

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

et al. 2019

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“…The recent discovery of Ti 2 InB 2 by Wang et al revealed the first laminated hexagonal structure. 11 This hexagonal layered structure is composed of three elements, out of which one is a metal, which do not alone justify it to be classified as a MAX phase or grant an extension of the definition of MAX phases. The composition of hexagonal Ti 2 InB 2 is analogous to general formula (MB) z A y (MB 2 ) x of MAB phases (e.g., orthorhombic Cr 2 AlB 2 and Cr 3 AlB 4 ), which is different from the general M n +1 AX n composition of MAX phases.…”

Section: Discussionmentioning

confidence: 99%

“…All MAB structures display orthorhombic symmetry. The only exception is a recently discovered layered MAB phase, Ti 2 InB 2 , 11 with hexagonal P 6̅ m 2 symmetry (also a hexagonal subgroup of P 6 3 / mmc ). Inspired by this finding and motivated by the previous discovery of i -MAX phases, we here use cluster expansion to theoretically investigate the possibility of chemical ordering in MAB-phase alloys.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Prediction and Synthesis of a Family of Atomic Laminate Metal Borides with In-Plane Chemical Ordering

et al. 2020

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All atomically laminated MAB phases (M = transition metal, A = A-group element, and B = boron) exhibit orthorhombic or tetragonal symmetry, with the only exception being hexagonal Ti 2 InB 2 . Inspired by the recent discovery of chemically ordered hexagonal carbides, i-MAX phases, we perform an extensive first-principles study to explore chemical ordering upon metal alloying of M 2 AlB 2 (M from groups 3 to 9) in orthorhombic and hexagonal symmetry. Fifteen stable novel phases with in-plane chemical ordering are identified, coined i-MAB, along with 16 disordered stable alloys. The predictions are verified through the powder synthesis of Mo 4/3 Y 2/3 AlB 2 and Mo 4/3 Sc 2/3 AlB 2 of space group R 3̅ m (no. 166), displaying the characteristic in-plane chemical order of Mo and Y/Sc and Kagomé ordering of the Al atoms, as evident from X-ray diffraction and electron microscopy. The discovery of i-MAB phases expands the elemental space of these borides with M = Sc, Y, Zr, Hf, and Nb, realizing an increased property tuning potential of these phases as well as their suggested potential two-dimensional derivatives.

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“…[15][16][17][18][19][20] MBenes were predicted to have similarly fascinating properties [21][22][23][24] but have not yet been obtained experimentally, despite several prominent attempts. [24][25][26][27][28] Recent theoretical investigation of the Li-Ni-B system 29 revealed a new Li-rich layered compound Li 2 NiB, whose structure is derived from RT-LiNiB. According to the calculations, only a little extra energy is needed to accommodate an additional Li layer in the structure of the LiNiB parent phase.…”

Section: Introductionmentioning

confidence: 99%