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Mg(12)O(12) and Be(12)O(12) Nanocages as Sorbents and Sensors for H(2)S and SO(2) Gases: A Theoretical Approach

Theoretical calculations based on the Density Functional Theory (DFT) have been performed to investigate the interaction of H(2)S as well SO(2) gaseous molecules at the surfaces of Be(12)O(12) and Mg(12)O(12) nano-cages. The results show that a Mg(12)O(12) nano-cage is a better sorbent than a Be(12)...

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Detalles Bibliográficos
Autores principales:	Badran, H. M., Eid, Kh. M., Baskoutas, Sotirios, Ammar, H. Y.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9143161/ https://www.ncbi.nlm.nih.gov/pubmed/35630981 http://dx.doi.org/10.3390/nano12101757

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