Hydrogen adsorption mechanism of MOF-74 metal–organic frameworks: an insight from first principles calculations

The microscopic mechanism of the H(2) adsorption of two Mg-MOF-74 isoreticular frameworks, one with a benzenedicarboxylate (BDC) linker and the other with a dihydroxyfumarate (DHF) linker, were studied on the basis of density functional theory (DFT) method. Possible adsorption sites on the internal...

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Detalles Bibliográficos
Autores principales: Nguyen-Thuy, Trang, Le-Hoang, Phong, Hoang Vu, Nam, Le, Thong Nguyen-Minh, Le Hoang Doan, Tan, Kuo, Jer-Lai, Nguyen, Toan T., Phan, Thang Bach, Nguyen-Manh, Duc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058421/
https://www.ncbi.nlm.nih.gov/pubmed/35517181
http://dx.doi.org/10.1039/d0ra08864a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058421/
https://www.ncbi.nlm.nih.gov/pubmed/35517181
http://dx.doi.org/10.1039/d0ra08864a

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