The influences of boron doping in various defect sites on the thermo-mechanical properties of armchair graphene nanoribbons

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dc.authorid0000-0003-1493-0965en_US
dc.contributor.authorŞentürk, Ahmet Emin
dc.contributor.authorÖktem, Ahmet Sinan
dc.contributor.authorKonukman, Alp Er S.
dc.date.accessioned2024-07-12T21:58:24Z
dc.date.available2024-07-12T21:58:24Z
dc.date.issued2020en_US
dc.departmentMaltepe Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesien_US
dc.description.abstractIn this study, the influences of boron (B) atom doping for various sites of Stone-Wales (SW) defects on the thermal conductivity (TC) and mechanical properties of armchair graphene nanoribbon (AGNR) are systematically examined at room temperature using molecular dynamics (MD) simulations. Firstly, the effects of SW defect and B doping with different concentrations on the TC and mechanical properties are investigated randomly. Additionally, it is observed that as SW defect and B doping exist together in AGNR, the effect of B doping on the TC and mechanical properties is far less than others. Secondly, the influences of four different B doping sites, which are located at the edge and center sites of SW defect, on the TC and mechanical properties of AGNR are examined. MD simulation results show that B doping in the central sites of SW defect indicates higher mechanical properties and TC than those in the edge sites of SW defect. In addition, B doping in the central sites of SW defect further improved the TC and mechanical properties of AGNR compared to random SW defect with B doping. On the other hand, B doping in the edge sites of defective AGNR indicates lower TC and mechanical properties than those in random B doping in defective AGNR. The results of this study may be considered helpful for future works of thermal and mechanical management of AGNRs based nanodevices and to develop thermoelectric applications of AGNRs.en_US
dc.identifier.citationŞentürk, A. E., Öktem, A. S. ve Konukman, A. E. S. (2020). The influences of boron doping in various defect sites on the thermo-mechanical properties of armchair graphene nanoribbons. European Physical Journal B. 93(7).en_US
dc.identifier.doi10.1140/epjb/e2020-10025-6
dc.identifier.issn1434-6036
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-85086995394en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.prg/10.1140/epjb/e2020-10025-6
dc.identifier.urihttps://hdl.handle.net/20.500.12415/8797
dc.identifier.volume93en_US
dc.identifier.wosWOS:000546187200001en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofEuropean Physical Journal Ben_US
dc.relation.publicationcategoryUluslararası Hakemli Dergide Makale - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmzKY00892
dc.subjectNıtregen-doped grapheneen_US
dc.subjectTermal-conductivityen_US
dc.subjectMolecular-dynamicsen_US
dc.subjectMechanical-propertiesen_US
dc.subjectPhaseen_US
dc.titleThe influences of boron doping in various defect sites on the thermo-mechanical properties of armchair graphene nanoribbonsen_US
dc.typeArticle
dspace.entity.typePublication

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