Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure

In this paper, the electronic properties of a carbon allotrope, graphene with a kagome lattice structure, are investigated. Spin-polarized density functional theory (DFT) calculations with Grimme dispersion corrections were done. Bond lengths, electronic band structure, and projected density of stat...

Descripción completa

Detalles Bibliográficos
Autores principales: Sarikavak-Lisesivdin, B., Lisesivdin, S.B., Ozbay, E., Jelezko, F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2020
Materias:
Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7494512/
https://www.ncbi.nlm.nih.gov/pubmed/32958962
http://dx.doi.org/10.1016/j.cplett.2020.138006
_version_ 1783582766783266816
author Sarikavak-Lisesivdin, B.
Lisesivdin, S.B.
Ozbay, E.
Jelezko, F.
author_facet Sarikavak-Lisesivdin, B.
Lisesivdin, S.B.
Ozbay, E.
Jelezko, F.
author_sort Sarikavak-Lisesivdin, B.
collection PubMed
description In this paper, the electronic properties of a carbon allotrope, graphene with a kagome lattice structure, are investigated. Spin-polarized density functional theory (DFT) calculations with Grimme dispersion corrections were done. Bond lengths, electronic band structure, and projected density of states were calculated. Electronic band structure calculations show kagome flat-band formation with higher d-orbital contributed bonding behavior than the pristine graphene structure. The structural parameters and electronic band results of this 2D carbon allotrope show wider possible usage in many applications from desalination membranes to possible high-temperature superconductors.
format Online
Article
Text
id pubmed-7494512
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher Elsevier B.V.
record_format MEDLINE/PubMed
spelling pubmed-74945122020-09-17 Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure Sarikavak-Lisesivdin, B. Lisesivdin, S.B. Ozbay, E. Jelezko, F. Chem Phys Lett Research Paper In this paper, the electronic properties of a carbon allotrope, graphene with a kagome lattice structure, are investigated. Spin-polarized density functional theory (DFT) calculations with Grimme dispersion corrections were done. Bond lengths, electronic band structure, and projected density of states were calculated. Electronic band structure calculations show kagome flat-band formation with higher d-orbital contributed bonding behavior than the pristine graphene structure. The structural parameters and electronic band results of this 2D carbon allotrope show wider possible usage in many applications from desalination membranes to possible high-temperature superconductors. Elsevier B.V. 2020-12 2020-09-17 /pmc/articles/PMC7494512/ /pubmed/32958962 http://dx.doi.org/10.1016/j.cplett.2020.138006 Text en © 2020 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Research Paper
Sarikavak-Lisesivdin, B.
Lisesivdin, S.B.
Ozbay, E.
Jelezko, F.
Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title_full Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title_fullStr Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title_full_unstemmed Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title_short Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
title_sort structural parameters and electronic properties of 2d carbon allotrope: graphene with a kagome lattice structure
topic Research Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7494512/
https://www.ncbi.nlm.nih.gov/pubmed/32958962
http://dx.doi.org/10.1016/j.cplett.2020.138006
work_keys_str_mv AT sarikavaklisesivdinb structuralparametersandelectronicpropertiesof2dcarbonallotropegraphenewithakagomelatticestructure
AT lisesivdinsb structuralparametersandelectronicpropertiesof2dcarbonallotropegraphenewithakagomelatticestructure
AT ozbaye structuralparametersandelectronicpropertiesof2dcarbonallotropegraphenewithakagomelatticestructure
AT jelezkof structuralparametersandelectronicpropertiesof2dcarbonallotropegraphenewithakagomelatticestructure

Ejemplares similares