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Tailoring of the electronic property of Zn-BTC metal–organic framework via ligand functionalization: an ab initio investigation

Metal–organic frameworks (MOFs) are porous materials of recent interest due to their promising properties for technological applications. In this paper, the structure–property relationships of pristine and functionalized Zn-BTC (Zn(3)(BTC)(2)) MOFs are investigated. The results based on density func...

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Detalles Bibliográficos
Autores principales:	Degaga, Gemechis D., Pandey, Ravindra, Gupta, Chansi, Bharadwaj, Lalit
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9064026/ https://www.ncbi.nlm.nih.gov/pubmed/35519341 http://dx.doi.org/10.1039/c9ra00687g

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