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

dc.contributor.author	Bölen, Emre
dc.contributor.author	Deligöz, Engin
dc.contributor.author	Özışık, Hacı
dc.contributor.author	Özışık, Havva
dc.date.accessioned	2023-12-19T05:51:46Z
dc.date.available	2023-12-19T05:51:46Z
dc.date.issued	2018
dc.department	Sabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstract	"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.
dc.identifier.endpage	138	en_US
dc.identifier.startpage	136	en_US
dc.identifier.uri	https://hdl.handle.net/20.500.12451/11346
dc.language.iso	en
dc.publisher	WITAM-2018
dc.relation.ispartof	Congress on The World of Technology and Advanced Materials (WITAM-2018)
dc.relation.publicationcategory	Konferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rights	info:eu-repo/semantics/openAccess
dc.subject	Mo2ScC2
dc.title	Ab initio study of structural and mechanical properties of two dimensional Mo2ScC2
dc.type	Conference Object