Structural and Electronic Properties of Iron-Doped Sodium Montmorillonite Clays: A First-Principles DFT Study

[Image: see text] First-principles calculations done via density functional theory were used to study the structural and electronic properties of sodium montmorillonite clay (Mt-Na(+)) of general formula M(x)Al(3)Si(8)O(24)H(4)Na·nH(2)O (M(x): Mg or Fe). The final position of the interlamellar sodiu...

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Detalles Bibliográficos
Autores principales: Ferreira, Camila R., Pulcinelli, Sandra H., Scolfaro, Luisa, Borges, Pablo D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6740045/
https://www.ncbi.nlm.nih.gov/pubmed/31528789
http://dx.doi.org/10.1021/acsomega.9b00685

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6740045/
https://www.ncbi.nlm.nih.gov/pubmed/31528789
http://dx.doi.org/10.1021/acsomega.9b00685

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