Structural and electronic properties of Janus Sc2CBT (T= H, F) MXenes
| dc.authorid | 0000-0001-8171-0757 | |
| dc.contributor.author | Bölen, Emre | |
| dc.date.accessioned | 2024-12-11T08:54:11Z | |
| dc.date.available | 2024-12-11T08:54:11Z | |
| dc.date.issued | 2024 | |
| dc.department | Sağlık Hizmetleri Meslek Yüksekokulu | |
| dc.description.abstract | In this study, Sc?CBT (T=H, F) Janus MXene monolayers have been investigated for the first time using density functional theory calculations. The lattice constants, bond lengths, cohesive energies, magnetic properties, and electronic properties have been examined in detail. The obtained findings have shown that Sc?CBH Janus MXene monolayer is energetically stable. The calculations showed that none of the monolayers exhibits magnetic ordering. The electronic band structure calculations have demonstrated that both monolayers exhibit metallic character. Additionally, it was understood that the boron element significantly affects the electronic properties of both monolayers. This study is the first to investigate Sc?CBH and Sc?CBF Janus monolayers, and the findings are discussed in detail. | |
| dc.identifier.doi | 10.30728/boron.1503148 | |
| dc.identifier.endpage | 134 | en_US |
| dc.identifier.issn | 2149-9020 | |
| dc.identifier.issn | 2667-8438 | |
| dc.identifier.issue | 3 | en_US |
| dc.identifier.scopusquality | Q3 | |
| dc.identifier.startpage | 129 | en_US |
| dc.identifier.uri | https:/dx.doi.org/10.30728/boron.1503148 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/12676 | |
| dc.identifier.volume | 9 | en_US |
| dc.indekslendigikaynak | Scopus | |
| dc.indekslendigikaynak | TR-Dizin | |
| dc.language.iso | en | |
| dc.publisher | TENMAK Bor Araştırma Enstitüsü | |
| dc.relation.ispartof | Bor Dergisi | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | 2D Materials | |
| dc.subject | MXene | |
| dc.subject | Electronic Properties | |
| dc.subject | Density Functional Theory | |
| dc.title | Structural and electronic properties of Janus Sc2CBT (T= H, F) MXenes | |
| dc.type | Article |
