Ab initio study of structural and mechanical properties of two dimensional Mo2ScC2

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Tarih

2018

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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)

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