Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach

The structural, electronic and magnetic properties of the MIL-47(Mn) metal–organic framework are investigated using first principles calculations. We find that the large-pore structure is the ground state of this material. We show that upon transition from the large-pore to the narrow-pore structure...

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Detalles Bibliográficos
Autores principales: Hosseini, Mohammadreza, Vanpoucke, Danny E. P., Giannozzi, Paolo, Berahman, Masoud, Hadipour, Nasser
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/PMC9049066/
https://www.ncbi.nlm.nih.gov/pubmed/35495241
http://dx.doi.org/10.1039/c9ra09196c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049066/
https://www.ncbi.nlm.nih.gov/pubmed/35495241
http://dx.doi.org/10.1039/c9ra09196c

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