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Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties

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 (BP(x), x = 1, 2, 3, 4, 5, 6 and 7) and observed that e...

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Detalles Bibliográficos
Autores principales: Liu, Shijie, Liu, Bo, Shi, Xuhan, Lv, Jiayin, Niu, Shifeng, Yao, Mingguang, Li, Quanjun, Liu, Ran, Cui, Tian, Liu, Bingbing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445080/
https://www.ncbi.nlm.nih.gov/pubmed/28546586
http://dx.doi.org/10.1038/s41598-017-02011-9
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author Liu, Shijie
Liu, Bo
Shi, Xuhan
Lv, Jiayin
Niu, Shifeng
Yao, Mingguang
Li, Quanjun
Liu, Ran
Cui, Tian
Liu, Bingbing
author_facet Liu, Shijie
Liu, Bo
Shi, Xuhan
Lv, Jiayin
Niu, Shifeng
Yao, Mingguang
Li, Quanjun
Liu, Ran
Cui, Tian
Liu, Bingbing
author_sort Liu, Shijie
collection PubMed
description 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 (BP(x), 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 BP(5) 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-BP(5) monolayer to transition from a quasi-direct to direct band gap, whereas moderate biaxial strain can cause the penta-BP(5) 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-BP(5) 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.
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spelling pubmed-54450802017-05-30 Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties Liu, Shijie Liu, Bo Shi, Xuhan Lv, Jiayin Niu, Shifeng Yao, Mingguang Li, Quanjun Liu, Ran Cui, Tian Liu, Bingbing Sci Rep Article 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 (BP(x), 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 BP(5) 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-BP(5) monolayer to transition from a quasi-direct to direct band gap, whereas moderate biaxial strain can cause the penta-BP(5) 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-BP(5) 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. Nature Publishing Group UK 2017-05-25 /pmc/articles/PMC5445080/ /pubmed/28546586 http://dx.doi.org/10.1038/s41598-017-02011-9 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Liu, Shijie
Liu, Bo
Shi, Xuhan
Lv, Jiayin
Niu, Shifeng
Yao, Mingguang
Li, Quanjun
Liu, Ran
Cui, Tian
Liu, Bingbing
Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_full Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_fullStr Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_full_unstemmed Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_short Two-dimensional Penta-BP(5) Sheets: High-stability, Strain-tunable Electronic Structure and Excellent Mechanical Properties
title_sort two-dimensional penta-bp(5) sheets: high-stability, strain-tunable electronic structure and excellent mechanical properties
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445080/
https://www.ncbi.nlm.nih.gov/pubmed/28546586
http://dx.doi.org/10.1038/s41598-017-02011-9
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