Please use this identifier to cite or link to this item:
https://hdl.handle.net/20.500.11851/8178
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Bafekry, A. | - |
dc.contributor.author | Faraji, M. | - |
dc.contributor.author | Fadlallah, M. M. | - |
dc.contributor.author | Hoat, D. M. | - |
dc.contributor.author | Jappor, H. R. | - |
dc.contributor.author | Sarsari, I. Abdolhosseini | - |
dc.contributor.author | Ghergherehchi, M. | - |
dc.date.accessioned | 2022-01-15T13:00:32Z | - |
dc.date.available | 2022-01-15T13:00:32Z | - |
dc.date.issued | 2021 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.issn | 1463-9084 | - |
dc.identifier.uri | https://doi.org/10.1039/d1cp03706d | - |
dc.identifier.uri | https://hdl.handle.net/20.500.11851/8178 | - |
dc.description.abstract | Recent developments in the synthesis of highly crystalline ultrathin BiTeX (X = Br, Cl) structures [Debarati Hajra et al., ACS Nano 14, 15626 (2020)] have led to the exploration of the atomic structure, dynamical stability, and electronic, optical, and thermoelectric properties of SbXY (X = Se, Te; Y = Br, I) monolayers via density functional calculations. The calculated phonon spectrum, elastic stability conditions, and cohesive energy verified the stability of the studied SbXY monolayers. The mechanical properties reveal that all studied monolayers are stable and brittle. Based on PBE (PBE + SOC) functional calculations, the SbXY monolayers are semiconductors with indirect bandgaps. The calculated bandgaps using HSE (HSE + SOC) for SbSeBr, SbSeI, SbTeBr, and SbTeI monolayers are between 1.45 and 1.91 eV, which are appealing for applications in nanoelectronic devices. The signature of the Rashba effect appears in the SbXY monolayer. The SbXY monolayers are visible-light active. Hole doping can be an efficient way to increase the electricity production of SbXY monolayers from waste heat energy. This study suggests that SbXY (X = Se, Te; Y = Br, I) monolayers represent promising new electronic, optical, and energy conversion systems. | 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). Computational resources were provided by TUBITAK ULAKBIM, at the High Performance and Grid Computing Center (TR-Grid e-Infrastructure). | en_US |
dc.language.iso | en | en_US |
dc.publisher | Royal Soc Chemistry | en_US |
dc.relation.ispartof | Physical Chemistry Chemical Physics | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | 1St Principles | en_US |
dc.subject | Honeycomb-Like | en_US |
dc.subject | 1St-Principles | en_US |
dc.subject | Sbsei | en_US |
dc.subject | Exfoliation | en_US |
dc.subject | Performance | en_US |
dc.subject | Monolayers | en_US |
dc.subject | Graphene | en_US |
dc.subject | Field | en_US |
dc.title | Electronic, Optical and Thermoelectric Properties of a Novel Two-Dimensional Sbxy (x = Se, Te; Y = Br, I) Family: Ab Initio Perspective | 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 | 23 | en_US |
dc.identifier.issue | 45 | en_US |
dc.identifier.startpage | 25866 | en_US |
dc.identifier.endpage | 25876 | en_US |
dc.authorid | Jappor, Hamad Rahman / 0000-0002-8885-3985 | - |
dc.identifier.wos | WOS:000717637100001 | en_US |
dc.identifier.scopus | 2-s2.0-85120448608 | en_US |
dc.institutionauthor | Faraji, Mehrdad | - |
dc.identifier.pmid | 34766178 | en_US |
dc.identifier.doi | 10.1039/d1cp03706d | - |
dc.authorwosid | Jappor, Hamad Rahman / K-6055-2013 | - |
dc.authorscopusid | 57208817264 | - |
dc.authorscopusid | 57215436031 | - |
dc.authorscopusid | 57103855100 | - |
dc.authorscopusid | 57200373877 | - |
dc.authorscopusid | 50861445000 | - |
dc.authorscopusid | 57131011300 | - |
dc.authorscopusid | 35275008800 | - |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.scopusquality | Q1 | - |
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 |
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