Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.11851/8177
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bafekry, A. | - |
dc.contributor.author | Faraji, M. | - |
dc.contributor.author | Fadlallah, M. M. | - |
dc.contributor.author | Jappor, H. R. | - |
dc.contributor.author | Karbasizadeh, S. | - |
dc.contributor.author | Ghergherehchi, M. | - |
dc.contributor.author | Gogova, D. | - |
dc.date.accessioned | 2022-01-15T13:00:32Z | - |
dc.date.available | 2022-01-15T13:00:32Z | - |
dc.date.issued | 2022 | - |
dc.identifier.issn | 0953-8984 | - |
dc.identifier.issn | 1361-648X | - |
dc.identifier.uri | https://doi.org/10.1088/1361-648X/ac2a7b | - |
dc.identifier.uri | https://hdl.handle.net/20.500.11851/8177 | - |
dc.description.abstract | In 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.sponsorship | National Research Foundation of Korea (NRF) - Korea government (MSIT) [NRF-2015M2B2A4033123] | en_US |
dc.description.sponsorship | This work was supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (MSIT) (NRF-2015M2B2A4033123). | en_US |
dc.language.iso | en | en_US |
dc.publisher | Iop Publishing Ltd | en_US |
dc.relation.ispartof | Journal of Physics-Condensed Matter | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | density functional theory | en_US |
dc.subject | first-principles study | en_US |
dc.subject | carbon allotrope | en_US |
dc.subject | biphenylene monolayer | en_US |
dc.subject | two-dimensional nonbenzenoid | en_US |
dc.subject | Initio Molecular-Dynamics | en_US |
dc.subject | Electronic-Properties | en_US |
dc.subject | Graphene | en_US |
dc.subject | Graphyne | en_US |
dc.subject | Modulus | en_US |
dc.subject | Network | en_US |
dc.subject | Points | en_US |
dc.title | Biphenylene Monolayer as a Two-Dimensional Nonbenzenoid Carbon Allotrope: a First-Principles Study | en_US |
dc.type | Article | en_US |
dc.department | Faculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineering | en_US |
dc.department | Fakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü | tr_TR |
dc.identifier.volume | 34 | en_US |
dc.identifier.issue | 1 | en_US |
dc.authorid | Jappor, Hamad Rahman / 0000-0002-8885-3985 | - |
dc.identifier.wos | WOS:000711172400001 | en_US |
dc.identifier.scopus | 2-s2.0-85118698184 | en_US |
dc.institutionauthor | Faraji, Mehrdad | - |
dc.identifier.pmid | 34571501 | en_US |
dc.identifier.doi | 10.1088/1361-648X/ac2a7b | - |
dc.authorwosid | Jappor, Hamad Rahman / K-6055-2013 | - |
dc.authorwosid | Karbasizadeh, Siavash / ABA-6806-2021 | - |
dc.authorscopusid | 57208817264 | - |
dc.authorscopusid | 57215436031 | - |
dc.authorscopusid | 57103855100 | - |
dc.authorscopusid | 50861445000 | - |
dc.authorscopusid | 57220891244 | - |
dc.authorscopusid | 35275008800 | - |
dc.authorscopusid | 6603921476 | - |
dc.relation.publicationcategory | Diğer | en_US |
dc.identifier.scopusquality | Q2 | - |
item.openairetype | Article | - |
item.languageiso639-1 | en | - |
item.grantfulltext | none | - |
item.fulltext | No Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
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 |
CORE Recommender
SCOPUSTM
Citations
3
checked on Dec 21, 2024
WEB OF SCIENCETM
Citations
97
checked on Dec 21, 2024
Page view(s)
136
checked on Dec 23, 2024
Google ScholarTM
Check
Altmetric
Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.