Ab initio study of structural and mechanical properties of two dimensional Mo2ScC2
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Dosyalar
Tarih
2018
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
WITAM-2018
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
"MXene", a new class of two dimensional materials, has attracted considerable research interest due to its outstanding physical properties as well as promising technological applications. In this work, the structural, and mechanical properties of the Monolayer Mo2ScC2 compound is calculated first time within the framework of the density-functional theory (DFT) by using the plane-wave pseudopotential approach as implemented within the VASP package. The structural parameters of Mo2ScC2 is optimized, and calculated the lattice parameters. We think that the results will guide the experimental work that is not yet done.
Açıklama
Anahtar Kelimeler
Mo2ScC2
Kaynak
Congress on The World of Technology and Advanced Materials (WITAM-2018)
