Realization of an Ideal Cairo Tessellation in Nickel Diazenide NiN2: High-Pressure Route to Pentagonal 2D Materials

被引：77

作者：

Bykov, Maxim ^{[1
,7
]}

Bykova, Elena ^{[1
]}

Ponomareva, Alena, V ^{[2
]}

Tasnadi, Ferenc ^{[3
]}

Chariton, Stella ^{[4
]}

Prakapenka, Vitali B. ^{[4
]}

Glazyrin, Konstantin ^{[5
]}

Smith, Jesse S. ^{[6
]}

Mahmood, Mohammad F. ^{[1
]}

Abrikosov, Igor A. ^{[3
]}

Goncharov, Alexander F. ^{[7
]}

机构：

[1] Howard Univ, Coll Arts & Sci, Washington, DC 20059 USA

[2] Natl Univ Sci & Technol MISIS, Mat Modeling & Dev Lab, Moscow 119049, Russia

[3] Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

[4] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA

[5] Deutsch Electronen Synchrotron DESY, Photon Sci, D-22607 Hamburg, Germany

[6] Argonne Natl Lab, Xray Sci Div, HPCAT, Argonne, IL 60439 USA

[7] Carnegie Inst Sci, Earth & Planets Lab, Washington, DC 20015 USA

来源：

ACS NANO | 2021年 / 15卷 / 08期

基金：

美国国家科学基金会; 瑞典研究理事会; 俄罗斯科学基金会;

关键词：

pentagonal 2D materials; nitrides; diazenides; high pressure; penta-graphene; TOTAL-ENERGY CALCULATIONS; SEMICONDUCTORS; NITRIDES; STABILITY; SYSTEM; LAYERS;

D O I：

10.1021/acsnano.1c04325

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Most of the studied two-dimensional (2D) materials are based on highly symmetric hexagonal structural motifs. In contrast, lower-symmetry structures may have exciting anisotropic properties leading to various applications in nano-electronics. In this work we report the synthesis of nickel diazenide NiN2 which possesses atomic-thick layers comprised of Ni2N3 pentagons forming Cairo-type tessellation. The layers of NiN2 are weakly bonded with the calculated exfoliation energy of 0.72 J/m(2), which is just slightly larger than that of graphene. The compound crystallizes in the space group of the ideal Cairo tiling (P4/mbm) and possesses significant anisotropy of elastic properties. The single-layer NiN2 is a direct-band-gap semiconductor, while the bulk material is metallic. This indicates the promise of NiN2 to be a precursor of a pentagonal 2D material with a tunable direct band gap.

引用

页码：13539 / 13546

页数：8

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