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Ferromagnetism in Defected TMD (MoX(2), X = S, Se) Monolayer and Its Sustainability under O(2), O(3), and H(2)O Gas Exposure: DFT Study

Spin-polarized density-functional theory (DFT) has been employed to study the effects of atmospheric gases on the electronic and magnetic properties of a defective transition-metal dichalcogenide (TMD) monolayer, MoX(2) with X = S or Se. This study focuses on three single vacancies: (i) molybdenum “...

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Detalles Bibliográficos
Autores principales:	Devi, Anjna, Dhiman, Neha, Kumar, Narender, Alfalasi, Wadha, Kumar, Arun, Ahluwalia, P. K., Singh, Amarjeet, Tit, Nacir
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10221339/ https://www.ncbi.nlm.nih.gov/pubmed/37242058 http://dx.doi.org/10.3390/nano13101642

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