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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 &amp; Aring; to 27.2 &amp; 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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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 &amp; Aring; to 27.2 &amp; 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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Kvantové materiály pro aplikace v udržitelných technologiích</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

ISSN

0304-8853

e-ISSN

1873-4766

Svazek periodika

614

Číslo periodika v rámci svazku

FEB 15 2025

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

6

Strana od-do

nestránkováno

Kód UT WoS článku

001403430100001

EID výsledku v databázi Scopus

2-s2.0-85213014378