Nanostructures of Molybdenum, Chromium, and Tungsten Constructed by a Basic Structural Unit
dc.authorid | Demirci, Salih/0000-0002-1272-9603 | |
dc.contributor.author | Demirci, Salih | |
dc.contributor.author | Jahangirov, Seymur | |
dc.contributor.author | Ciraci, Salim | |
dc.date.accessioned | 2025-01-21T16:42:48Z | |
dc.date.available | 2025-01-21T16:42:48Z | |
dc.date.issued | 2024 | |
dc.department | Kırıkkale Üniversitesi | |
dc.description.abstract | We 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.sponsorship | Turkish Academy of Sciences; TUBITAK-ANAS [120N296]; National Center for High-Performance Computing of Turkey (UHeM) [5004132016] | |
dc.description.sponsorship | S.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.doi | 10.1021/acs.jpcc.4c03419 | |
dc.identifier.endpage | 14033 | |
dc.identifier.issn | 1932-7447 | |
dc.identifier.issn | 1932-7455 | |
dc.identifier.issue | 33 | |
dc.identifier.scopus | 2-s2.0-85201148601 | |
dc.identifier.scopusquality | Q1 | |
dc.identifier.startpage | 14025 | |
dc.identifier.uri | https://doi.org/10.1021/acs.jpcc.4c03419 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12587/25138 | |
dc.identifier.volume | 128 | |
dc.identifier.wos | WOS:001289864500001 | |
dc.identifier.wosquality | N/A | |
dc.indekslendigikaynak | Web of Science | |
dc.indekslendigikaynak | Scopus | |
dc.language.iso | en | |
dc.publisher | Amer Chemical Soc | |
dc.relation.ispartof | Journal of Physical Chemistry C | |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
dc.rights | info:eu-repo/semantics/closedAccess | |
dc.snmz | KA_20241229 | |
dc.title | Nanostructures of Molybdenum, Chromium, and Tungsten Constructed by a Basic Structural Unit | |
dc.type | Article |