A density functional theory study of magnetic transition in MnO2 adsorbed vanadium carbide (V2C) MXene

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23640%2F25%3A43975983" target="_blank" >RIV/49777513:23640/25:43975983 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.jmmm.2024.172749" target="_blank" >https://doi.org/10.1016/j.jmmm.2024.172749</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmmm.2024.172749" target="_blank" >10.1016/j.jmmm.2024.172749</a>

Result language
angličtina
Original language name
A density functional theory study of magnetic transition in MnO2 adsorbed vanadium carbide (V2C) MXene
Original language description
The work reports nonmagnetic behavior (0.04 mu B) in two-dimensional (2D) V2C-OF MXene and ferromagnetism in MnO2 adsorbed V2C-OF MXene. The density functional theory (DFT) calculations were carried out to study the magnetic moments of V2C-OF and MnO2@V2C-OF MXene. The MXene, which is derived from the exfoliation of its parent V2AlC MAX phase, shows a good potential to be a ferromagnetic when MnO2 is adsorbed on it. The V2C MXene and MnO2 adsorbed V2C MXene were successfully synthesized, as characterized using X-ray diffraction, showing an increased c-lattice parameter from 22.6 & Aring; to 27.2 & Aring; after MnO2 adsorption. The DFT study confirmed that MnO2 adsorbed V2C MXene changed from nonmagnetic (in V2C MXene) to a strong ferromagnetic with a magnetic moment of 4.48 mu B for Mn adsorbed V2C-OF MXene. The current work is a step-forward towards understanding of magnetism in two-dimensional materials for future 2D spintronics.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Quantum materials for applications in sustainable technologies</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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