Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

Abstract Two-dimensional (2D) crystals exhibit unique and exceptional properties and show promise for various applications. In this work, we systematically studied the structures of a 2D boronphosphide (BP) monolayer with different stoichiometric ratios (BPx, x = 1, 2, 3, 4, 5, 6 and 7) and observed...

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Autores principales: Shijie Liu, Bo Liu, Xuhan Shi, Jiayin Lv, Shifeng Niu, Mingguang Yao, Quanjun Li, Ran Liu, Tian Cui, Bingbing Liu
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Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/e00221ff84e442f5a61d1ee09815754b
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spelling oai:doaj.org-article:e00221ff84e442f5a61d1ee09815754b2021-12-02T12:32:19ZTwo-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties10.1038/s41598-017-02011-92045-2322https://doaj.org/article/e00221ff84e442f5a61d1ee09815754b2017-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-02011-9https://doaj.org/toc/2045-2322Abstract Two-dimensional (2D) crystals exhibit unique and exceptional properties and show promise for various applications. In this work, we systematically studied the structures of a 2D boronphosphide (BP) monolayer with different stoichiometric ratios (BPx, x = 1, 2, 3, 4, 5, 6 and 7) and observed that each compound had a stable 2D structure with metallic or semiconducting electronic properties. Surprisingly, for the BP5 compounds, we discovered a rare penta-graphene-like 2D structure with a tetragonal lattice. This monolayer was a semiconductor with a quasi-direct band gap of 2.68 eV. More importantly, investigation of the strain effect revealed that small uniaxial strain can trigger the band gap of the penta-BP5 monolayer to transition from a quasi-direct to direct band gap, whereas moderate biaxial strain can cause the penta-BP5 to transform from a semiconductor into a metal, indicating the great potential of this material for nanoelectronic device applications based on strain-engineering techniques. The wide and tuneable band gap of monolayer penta-BP5 makes it more advantageous for high-frequency-response optoelectronic materials than the currently popular 2D systems, such as transition metal dichalcogenides and black phosphorus. These unique structural and electronic properties of 2D BP sheets make them promising for many potential applications in future nanodevices.Shijie LiuBo LiuXuhan ShiJiayin LvShifeng NiuMingguang YaoQuanjun LiRan LiuTian CuiBingbing LiuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
Shijie Liu
Bo Liu
Xuhan Shi
Jiayin Lv
Shifeng Niu
Mingguang Yao
Quanjun Li
Ran Liu
Tian Cui
Bingbing Liu
Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
description Abstract Two-dimensional (2D) crystals exhibit unique and exceptional properties and show promise for various applications. In this work, we systematically studied the structures of a 2D boronphosphide (BP) monolayer with different stoichiometric ratios (BPx, x = 1, 2, 3, 4, 5, 6 and 7) and observed that each compound had a stable 2D structure with metallic or semiconducting electronic properties. Surprisingly, for the BP5 compounds, we discovered a rare penta-graphene-like 2D structure with a tetragonal lattice. This monolayer was a semiconductor with a quasi-direct band gap of 2.68 eV. More importantly, investigation of the strain effect revealed that small uniaxial strain can trigger the band gap of the penta-BP5 monolayer to transition from a quasi-direct to direct band gap, whereas moderate biaxial strain can cause the penta-BP5 to transform from a semiconductor into a metal, indicating the great potential of this material for nanoelectronic device applications based on strain-engineering techniques. The wide and tuneable band gap of monolayer penta-BP5 makes it more advantageous for high-frequency-response optoelectronic materials than the currently popular 2D systems, such as transition metal dichalcogenides and black phosphorus. These unique structural and electronic properties of 2D BP sheets make them promising for many potential applications in future nanodevices.
format article
author Shijie Liu
Bo Liu
Xuhan Shi
Jiayin Lv
Shifeng Niu
Mingguang Yao
Quanjun Li
Ran Liu
Tian Cui
Bingbing Liu
author_facet Shijie Liu
Bo Liu
Xuhan Shi
Jiayin Lv
Shifeng Niu
Mingguang Yao
Quanjun Li
Ran Liu
Tian Cui
Bingbing Liu
author_sort Shijie Liu
title Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_short Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_full Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_fullStr Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_full_unstemmed Two-dimensional Penta-BP5 Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_sort two-dimensional penta-bp5 sheets: high-stability, strain-tunable electronic structure and excellent mechanical properties
publisher Nature Portfolio
publishDate 2017
url https://doaj.org/article/e00221ff84e442f5a61d1ee09815754b
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