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Theoretical study of induced selective N(2) binding under an electric field in MOF-74: application for N(2)/CH(4) separations
In this theoretical study, selective binding of dinitrogen to the coordinatively unsaturated metal site in M-MOF-74 (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) under an external electric field is investigated. Simulation results suggest that an external electric field enhances the π* back-bonding between the t...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9390010/ https://www.ncbi.nlm.nih.gov/pubmed/36090418 http://dx.doi.org/10.1039/d2ra04216a |