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Theoretical investigation of the MXene precursors Mo(x)V(4-x)AlC(3) (0 ≤ x ≤ 4)

By first-principles total-energy calculations, we investigated the thermodynamic stability of the MAX solid solution Mo(x)V(4-x)AlC(3) in the 0 ≤ x ≤ 4 range. Results evidence that lattice parameter a increases as a function of Mo content, while the c parameter reaches its maximum expansion at x = 2...

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Detalles Bibliográficos
Autores principales:	Moreno-Armenta, Ma. Guadalupe, Guerrero-Sánchez, J., Gutiérrez-Ojeda, S. J., Fernández-Escamilla, H. N., Hoat, D. M., Ponce-Pérez, R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9968326/ https://www.ncbi.nlm.nih.gov/pubmed/36841864 http://dx.doi.org/10.1038/s41598-023-30443-z

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