Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations

Recently, an sp2hybridized planar two-dimensional graphene-based carbon allotrope composed of tetra-penta-octagonal rings has attracted considerable interest. The electronic structures and transport properties of zigzag-edged tetra-penta-octagonal-graphene nanoribbons (TPO-ZGNRs) modified via bounda...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Kangwei Cen, Huili Li, Yan Xiao, Tong Chen, Guanghui Zhou, Xianbo Xiao
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	Tetra-penta-octagonal (TPO) graphene nanoribbons A first-principles study NDR Rectification Physics QC1-999
Acceso en línea:	https://doaj.org/article/19aef8da2d204e16a9ddadb0f6cd21d9
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:19aef8da2d204e16a9ddadb0f6cd21d9
record_format	dspace
spelling	oai:doaj.org-article:19aef8da2d204e16a9ddadb0f6cd21d92021-11-14T04:32:29ZModulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations2211-379710.1016/j.rinp.2021.104945https://doaj.org/article/19aef8da2d204e16a9ddadb0f6cd21d92021-12-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2211379721009670https://doaj.org/toc/2211-3797Recently, an sp2hybridized planar two-dimensional graphene-based carbon allotrope composed of tetra-penta-octagonal rings has attracted considerable interest. The electronic structures and transport properties of zigzag-edged tetra-penta-octagonal-graphene nanoribbons (TPO-ZGNRs) modified via boundary passivation were investigated using density functional theory and the non-equilibrium Green’s function. TPO-ZGNRs were passivated with H, 2H, O, OH, and Cl on the edge to produce TPO-ZGNRs-X (X=H, 2H, O, OH, and Cl). TPO-ZGNRs-H exhibits metallic properties regardless of the nanoribbon width and exists in the non-magnetic state. Although TPO-ZGNRs-OH and TPO-ZGNRs-Cl remain metallic, TPO-ZGNRs-2H and TPO-ZGNRs-O are semiconductors. In addition, the current–voltage curves of three TPO-ZGNRs-X (X=H, OH, and Cl) homojunction device models contain a negative differential resistance region. Notably, the heterojunction device model in which TPO-ZGNRs are passivated with H and O atoms at different edge regions has negative differential resistance and rectification characteristics. This study is expected to facilitate the development of new carbon materials.Kangwei CenHuili LiYan XiaoTong ChenGuanghui ZhouXianbo XiaoElsevierarticleTetra-penta-octagonal (TPO) graphene nanoribbonsA first-principles studyNDRRectificationPhysicsQC1-999ENResults in Physics, Vol 31, Iss , Pp 104945- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Tetra-penta-octagonal (TPO) graphene nanoribbons A first-principles study NDR Rectification Physics QC1-999
spellingShingle	Tetra-penta-octagonal (TPO) graphene nanoribbons A first-principles study NDR Rectification Physics QC1-999 Kangwei Cen Huili Li Yan Xiao Tong Chen Guanghui Zhou Xianbo Xiao Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
description	Recently, an sp2hybridized planar two-dimensional graphene-based carbon allotrope composed of tetra-penta-octagonal rings has attracted considerable interest. The electronic structures and transport properties of zigzag-edged tetra-penta-octagonal-graphene nanoribbons (TPO-ZGNRs) modified via boundary passivation were investigated using density functional theory and the non-equilibrium Green’s function. TPO-ZGNRs were passivated with H, 2H, O, OH, and Cl on the edge to produce TPO-ZGNRs-X (X=H, 2H, O, OH, and Cl). TPO-ZGNRs-H exhibits metallic properties regardless of the nanoribbon width and exists in the non-magnetic state. Although TPO-ZGNRs-OH and TPO-ZGNRs-Cl remain metallic, TPO-ZGNRs-2H and TPO-ZGNRs-O are semiconductors. In addition, the current–voltage curves of three TPO-ZGNRs-X (X=H, OH, and Cl) homojunction device models contain a negative differential resistance region. Notably, the heterojunction device model in which TPO-ZGNRs are passivated with H and O atoms at different edge regions has negative differential resistance and rectification characteristics. This study is expected to facilitate the development of new carbon materials.
format	article
author	Kangwei Cen Huili Li Yan Xiao Tong Chen Guanghui Zhou Xianbo Xiao
author_facet	Kangwei Cen Huili Li Yan Xiao Tong Chen Guanghui Zhou Xianbo Xiao
author_sort	Kangwei Cen
title	Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
title_short	Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
title_full	Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
title_fullStr	Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
title_full_unstemmed	Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
title_sort	modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/19aef8da2d204e16a9ddadb0f6cd21d9
work_keys_str_mv	AT kangweicen modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations AT huilili modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations AT yanxiao modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations AT tongchen modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations AT guanghuizhou modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations AT xianboxiao modulationofelectricalperformanceofzigzagedgedtetrapentaoctagonalgraphenenanoribbonsbaseddevicesviaboundarypassivations
_version_	1718429942383902720

Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations

Ejemplares similares