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Energy Gaps in BN/GNRs Planar Heterostructure
Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV,...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8433917/ https://www.ncbi.nlm.nih.gov/pubmed/34501169 http://dx.doi.org/10.3390/ma14175079 |
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author | Guan, Jinyue Xu, Lei |
author_facet | Guan, Jinyue Xu, Lei |
author_sort | Guan, Jinyue |
collection | PubMed |
description | Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV, as the width of armchair GNRs, [Formula: see text] , increases from 1 to 20, while the band gap gradually decreases from 3.13 eV to 0.09 eV, as the width of zigzag GNRs, [Formula: see text] , increases from 1 to 80. For the planar heterojunctions with either armchair-shaped or zigzag-shaped edges, the band gaps can be manipulated by local potentials, leading to a phase transition from semiconductor to metal. In addition, the influence of lattice mismatch on the band gap is also investigated. |
format | Online Article Text |
id | pubmed-8433917 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-84339172021-09-12 Energy Gaps in BN/GNRs Planar Heterostructure Guan, Jinyue Xu, Lei Materials (Basel) Article Using the tight-binding approach, we study the band gaps of boron nitride (BN)/ graphene nanoribbon (GNR) planar heterostructures, with GNRs embedded in a BN sheet. The width of BN has little effect on the band gap of a heterostructure. The band gap oscillates and decreases from 2.44 eV to 0.26 eV, as the width of armchair GNRs, [Formula: see text] , increases from 1 to 20, while the band gap gradually decreases from 3.13 eV to 0.09 eV, as the width of zigzag GNRs, [Formula: see text] , increases from 1 to 80. For the planar heterojunctions with either armchair-shaped or zigzag-shaped edges, the band gaps can be manipulated by local potentials, leading to a phase transition from semiconductor to metal. In addition, the influence of lattice mismatch on the band gap is also investigated. MDPI 2021-09-05 /pmc/articles/PMC8433917/ /pubmed/34501169 http://dx.doi.org/10.3390/ma14175079 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Guan, Jinyue Xu, Lei Energy Gaps in BN/GNRs Planar Heterostructure |
title | Energy Gaps in BN/GNRs Planar Heterostructure |
title_full | Energy Gaps in BN/GNRs Planar Heterostructure |
title_fullStr | Energy Gaps in BN/GNRs Planar Heterostructure |
title_full_unstemmed | Energy Gaps in BN/GNRs Planar Heterostructure |
title_short | Energy Gaps in BN/GNRs Planar Heterostructure |
title_sort | energy gaps in bn/gnrs planar heterostructure |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8433917/ https://www.ncbi.nlm.nih.gov/pubmed/34501169 http://dx.doi.org/10.3390/ma14175079 |
work_keys_str_mv | AT guanjinyue energygapsinbngnrsplanarheterostructure AT xulei energygapsinbngnrsplanarheterostructure |