Nanostructures of Molybdenum, Chromium, and Tungsten Constructed by a Basic Structural Unit

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dc.authoridDemirci, Salih/0000-0002-1272-9603
dc.contributor.authorDemirci, Salih
dc.contributor.authorJahangirov, Seymur
dc.contributor.authorCiraci, Salim
dc.date.accessioned2025-01-21T16:42:48Z
dc.date.available2025-01-21T16:42:48Z
dc.date.issued2024
dc.departmentKırıkkale Üniversitesi
dc.description.abstractWe predicted a stable, zigzag chain structure of Molybdenum Mo, which, being a basic structural unit, can construct stable 0D or quantum dot (segments of atomic chains and rings), 1D (various infinite chains), quasi-1D (nanoribbons and nanotubes), and 2D (bilayers) structures entailing critical magnetic, elastic, and electronic properties. This zigzag chain, constituted by strong Mo-Mo covalent bonds, is a nonmagnetic semiconductor but undergoes an insulator-metal transition under compression acquiring a ferromagnetic state. Although Mo cannot form stable, suspended, 2D monolayers of a single atomic plane, parallel zigzag chains bound by metallic interchain interaction can construct stable bilayers of different symmetry, and also their stacks forming slabs. These bilayers, being elemental Dirac materials and displaying directional properties, clarify the ambiguous situation in recent studies synthesizing and/or predicting different 2D molybdenene structures. Notably, other Group VIB elements, chromium, and tungsten, also construct similar atomic chains and 2D bilayers with diverse physical properties. Intriguingly, an atomic chain structure serves as a building block for many low-dimensional materials with diverse physical properties, making it unique in nanoscience.
dc.description.sponsorshipTurkish Academy of Sciences; TUBITAK-ANAS [120N296]; National Center for High-Performance Computing of Turkey (UHeM) [5004132016]
dc.description.sponsorshipS.C. acknowledges the financial support by Turkish Academy of Sciences. S.J. thanks for the support from TUBITAK-ANAS project number 120N296. Computing resources used in this work were provided by the National Center for High-Performance Computing of Turkey (UHeM) under grant numbers 5004132016 and 1019342024.
dc.identifier.doi10.1021/acs.jpcc.4c03419
dc.identifier.endpage14033
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.issue33
dc.identifier.scopus2-s2.0-85201148601
dc.identifier.scopusqualityQ1
dc.identifier.startpage14025
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.4c03419
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25138
dc.identifier.volume128
dc.identifier.wosWOS:001289864500001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry C
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241229
dc.titleNanostructures of Molybdenum, Chromium, and Tungsten Constructed by a Basic Structural Unit
dc.typeArticle

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