Structural and electronic properties of Janus Sc2CBT (T= H, F) MXenes
Yükleniyor...
Dosyalar
Tarih
2024
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
TENMAK Bor Araştırma Enstitüsü
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
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.
Açıklama
Anahtar Kelimeler
2D Materials, MXene, Electronic Properties, Density Functional Theory
Kaynak
Bor Dergisi
WoS Q Değeri
Scopus Q Değeri
Q3
Cilt
9
Sayı
3
