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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,...

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Detalles Bibliográficos
Autores principales: Guan, Jinyue, Xu, Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
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.
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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
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