Point-like vacancies in two-dimensional transition metal dichalcogenides

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dc.authorid0000-0001-6544-7637
dc.authorid0000-0001-6544-7637
dc.contributor.authorÖzcan, Sibel
dc.contributor.authorGallardo, Aurelio
dc.contributor.authorBiel, Blanca
dc.date.accessioned2024-07-10T10:44:54Z
dc.date.available2024-07-10T10:44:54Z
dc.date.issued2024
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstracthis study explores the realm of two-dimensional transition metal dichalcogenides (TMDs), examining some of the most prevalent defects. Employing density functional theory, we scrutinize three common defect types across four extensively studied TMDs: MoS2, MoSe2, WS2, and WSe2. Our investigation spans the energetics of these defects, unveiling the most stable ones, and unraveling the alterations in structural and electronic properties induced by their presence. As a further step towards practical applications, we simulate the images that would be captured by both Atomic and Kelvin Probe Force Microscopes, aiming at a facile identification of these defects when probed at the microscopic level.
dc.identifier.doi10.1088/2516-1075/ad2090
dc.identifier.isbn25161075
dc.identifier.issue1en_US
dc.identifier.scopusqualityQ2
dc.identifier.urihttps:/dx.doi.org/10.1088/2516-1075/ad2090
dc.identifier.urihttps://hdl.handle.net/20.500.12451/12100
dc.identifier.volume6en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherInstitute of Physics
dc.relation.ispartofElectronic Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectDefects
dc.subjectDensity Functional Theory
dc.subjecttwo-dimensional Materials
dc.subjectVacancies
dc.titlePoint-like vacancies in two-dimensional transition metal dichalcogenides
dc.typeArticle

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