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Carbyne Ring Activated Using ZnCl(2) for Hydrogen Adsorption: DFT Study

[Image: see text] We have studied the feasibility of activated carbyne as a good hydrogen storage material. Density functional theory (DFT) simulations through van der Waals interactions have been applied to investigate calcium sorption on activating carbyne with zinc dichloride (ZnCl(2)) and also i...

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Detalles Bibliográficos
Autores principales:	Desales Guzmán, Luis Alberto, Pacheco Sánchez, Juan Horacio, Arellano Peraza, Juan Salvador
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973057/ https://www.ncbi.nlm.nih.gov/pubmed/35382298 http://dx.doi.org/10.1021/acsomega.1c06149

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