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Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study

In this paper, we present a detailed investigation of the structural, electronic, and optical properties of pristine, nitrogenated, and fluorinated MgO monolayers using ab initio calculations. The two dimensional (2D) material stability is confirmed by the phonon dispersion curves and binding energi...

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Detalles Bibliográficos
Autores principales:	Hoat, D. M., Van On, Vo, Nguyen, Duy Khanh, Naseri, Mosayeb, Ponce-Pérez, R., Vu, Tuan V., Rivas-Silva, J. F., Hieu, Nguyen N., Cocoletzi, Gregorio H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9057461/ https://www.ncbi.nlm.nih.gov/pubmed/35520824 http://dx.doi.org/10.1039/d0ra05030j

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