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Substitutional Coinage Metals as Promising Defects for Adsorption and Detection of Gases on MoS(2) Monolayers: A Computational Approach

Defective molybdenum disulfide (MoS(2)) monolayers (MLs) modified with coinage metal atoms (Cu, Ag and Au) embedded in sulfur vacancies are studied at a dispersion-corrected density functional level. Atmospheric constituents (H(2), O(2) and N(2)) and air pollutants (CO and NO), known as secondary gr...

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Detalles Bibliográficos
Autores principales:	Gutierrez-Rodriguez, Josue, Castro, Miguel, Nieto-Jalil, Jose Manuel, Medina, Dora Iliana, Montes de Oca, Saul, García-González, José Andrés, Rangel-Cortes, Eduardo, Miralrio, Alan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10299679/ https://www.ncbi.nlm.nih.gov/pubmed/37373431 http://dx.doi.org/10.3390/ijms241210284

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