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dc.contributor.authorFatheema, Jameela
dc.contributor.authorFatima, Mahjabeen
dc.contributor.authorMonir, Nasbah B.
dc.contributor.authorKhan, Saleem Ayaz
dc.contributor.authorRizwan, Syed
dc.date.accessioned2021-09-06T10:00:29Z-
dc.date.available2021-09-06T10:00:29Z-
dc.date.issued2020
dc.identifier.citationFATHEEMA, J., FATIMA, M., MONIR, NB., KHAN, SA., RIZWAN, S. A comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXene. Physica e-low-dimensional systems & nanostructures, 2020, roč. 124, č. OCT 2020. ISSN 1386-9477.cs
dc.identifier.issn1386-9477
dc.identifier.uri2-s2.0-85086080871
dc.identifier.urihttp://hdl.handle.net/11025/45062
dc.format8 s.cs
dc.format.mimetypeapplication/pdf
dc.language.isoenen
dc.publisherElsevieren
dc.relation.ispartofseriesPhysica E-low-dimensional Systems & Nanostructuresen
dc.rightsPlný text není přístupný.cs
dc.rights© Elsevieren
dc.titleA comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXeneen
dc.typečlánekcs
dc.typearticleen
dc.rights.accessclosedAccessen
dc.type.versionpublishedVersionen
dc.description.abstract-translatedThe two-dimensional (2D) carbides namely MXene have attracted tremendous attention recently owing to their enormous potential for various applications such as 2D spintronics. Derived from its parent Ti3AlC2 MAX phase, the magnetic behavior of chemically-etched Ti3C2 MXene is still unknown and offers a vast space to for researchers to study and explore its magnetic properties. We have prepared Nb-doped Ti3C2 MXene and characterized using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and superconducting quantum interference device (SQUID: Quantum Design). The density functional theory (DFT) calculation were also done in order to explore the magnetic behavior. The c-lattice parameter was increased from 19.2 angstrom, to 23.4 angstrom, after doping and the surface morphology exhibits a successful doping process. The magnetic study showed that niobium doped MXene is a ferromagnetic compound through the experimental as well as computational examination. The doped MXene is a soft ferromagnet with more significance than MXene on the basis of its structural stability with a calculated magnetic moment of 2.10 mu B. The doped MXene showed a good improved ferromagnetic behavior compared to the pristine MXene while the DFT study showed the ferromagnetic behavior for both the MXene and Nb-doped MXene structures with the magnetic moments of 3.04 mu B and 2.10 mu B, respectively. The current work is a step forward towards understanding of two-dimensional materials and explores potential of 2D MXenes for spintronics applications.en
dc.subject.translatedFerromagnetic MXeneen
dc.subject.translatedDensity functional theoryen
dc.subject.translatedNb-doped MXeneen
dc.subject.translatedSpin-polarized DOSen
dc.subject.translatedMagnetic momenten
dc.identifier.doi10.1016/j.physe.2020.114253
dc.type.statusPeer-revieweden
dc.identifier.document-number570235600011
dc.identifier.obd43933266
dc.project.IDEF15_003/0000358/Výpočetní a experimentální design pokročilých materiálů s novými funkcionalitamics
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