Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8177
Full metadata record
DC FieldValueLanguage
dc.contributor.authorBafekry, A.-
dc.contributor.authorFaraji, M.-
dc.contributor.authorFadlallah, M. M.-
dc.contributor.authorJappor, H. R.-
dc.contributor.authorKarbasizadeh, S.-
dc.contributor.authorGhergherehchi, M.-
dc.contributor.authorGogova, D.-
dc.date.accessioned2022-01-15T13:00:32Z-
dc.date.available2022-01-15T13:00:32Z-
dc.date.issued2022-
dc.identifier.issn0953-8984-
dc.identifier.issn1361-648X-
dc.identifier.urihttps://doi.org/10.1088/1361-648X/ac2a7b-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/8177-
dc.description.abstractIn a very recent accomplishment, the two-dimensional form of biphenylene network (BPN) has been fabricated. Motivated by this exciting experimental result on 2D layered BPN structure, herein we perform detailed density-functional theory-based first-principles calculations, in order to gain insight into the structural, mechanical, electronic and optical properties of this promising nanomaterial. Our theoretical results reveal the BPN structure is constructed from three rings of tetragon, hexagon and octagon, meanwhile the electron localization function shows very strong bonds between the C atoms in the structure. The dynamical stability of BPN is verified via the phonon band dispersion calculations. The mechanical properties reveal the brittle behavior of BPN monolayer. The Young's modulus has been computed as 0.1 TPa, which is smaller than the corresponding value of graphene, while the Poisson's ratio determined to be 0.26 is larger than that of graphene. The band structure is evaluated to show the electronic features of the material; determining the BPN monolayer as metallic with a band gap of zero. The optical properties (real and imaginary parts of the dielectric function, and the absorption spectrum) uncover BPN as an insulator along the zz direction, while owning metallic properties in xx and yy directions. We anticipate that our discoveries will pave the way to the successful implementation of this 2D allotrope of carbon in advanced nanoelectronics.en_US
dc.description.sponsorshipNational Research Foundation of Korea (NRF) - Korea government (MSIT) [NRF-2015M2B2A4033123]en_US
dc.description.sponsorshipThis work was supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (MSIT) (NRF-2015M2B2A4033123).en_US
dc.language.isoenen_US
dc.publisherIop Publishing Ltden_US
dc.relation.ispartofJournal of Physics-Condensed Matteren_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectdensity functional theoryen_US
dc.subjectfirst-principles studyen_US
dc.subjectcarbon allotropeen_US
dc.subjectbiphenylene monolayeren_US
dc.subjecttwo-dimensional nonbenzenoiden_US
dc.subjectInitio Molecular-Dynamicsen_US
dc.subjectElectronic-Propertiesen_US
dc.subjectGrapheneen_US
dc.subjectGraphyneen_US
dc.subjectModulusen_US
dc.subjectNetworken_US
dc.subjectPointsen_US
dc.titleBiphenylene Monolayer as a Two-Dimensional Nonbenzenoid Carbon Allotrope: a First-Principles Studyen_US
dc.typeArticleen_US
dc.departmentFaculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineeringen_US
dc.departmentFakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümütr_TR
dc.identifier.volume34en_US
dc.identifier.issue1en_US
dc.authoridJappor, Hamad Rahman / 0000-0002-8885-3985-
dc.identifier.wosWOS:000711172400001en_US
dc.identifier.scopus2-s2.0-85118698184en_US
dc.institutionauthorFaraji, Mehrdad-
dc.identifier.pmid34571501en_US
dc.identifier.doi10.1088/1361-648X/ac2a7b-
dc.authorwosidJappor, Hamad Rahman / K-6055-2013-
dc.authorwosidKarbasizadeh, Siavash / ABA-6806-2021-
dc.authorscopusid57208817264-
dc.authorscopusid57215436031-
dc.authorscopusid57103855100-
dc.authorscopusid50861445000-
dc.authorscopusid57220891244-
dc.authorscopusid35275008800-
dc.authorscopusid6603921476-
dc.relation.publicationcategoryDiğeren_US
dc.identifier.scopusqualityQ2-
item.openairetypeArticle-
item.languageiso639-1en-
item.grantfulltextnone-
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Show simple item record



CORE Recommender

SCOPUSTM   
Citations

3
checked on Dec 21, 2024

WEB OF SCIENCETM
Citations

97
checked on Dec 21, 2024

Page view(s)

134
checked on Dec 16, 2024

Google ScholarTM

Check




Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.