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Detection of H(2)S, HF and H(2) pollutant gases on the surface of penta-PdAs(2) monolayer using DFT approach

In this research, the adsorption of targeted noxious gases like H(2)S, HF and H(2) on penta-PdAs(2) monolayer are deeply studied by means of the density functional theory (DFT). After the capturing of three kind of pollutant gases (H(2)S, HF and H(2)), it is observed that, the electronic properties...

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Detalles Bibliográficos
Autores principales: Raval, Dhara, Gupta, Sanjeev K., Gajjar, P. N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9839685/
https://www.ncbi.nlm.nih.gov/pubmed/36639684
http://dx.doi.org/10.1038/s41598-023-27563-x