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Nanoporous materials with predicted zeolite topologies

An increasing number of newly synthesized materials have been found to be previously present in databases of predicted porous materials. This has been observed not only for zeolites, but also for other inorganic materials and for MOFs. We here quantify the number of synthesized zeolites that are pre...

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Detalles Bibliográficos
Autores principales: Blatov, Vladislav A., Blatova, Olga A., Daeyaert, Frits, Deem, Michael W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9053620/
https://www.ncbi.nlm.nih.gov/pubmed/35515631
http://dx.doi.org/10.1039/d0ra01888k
Descripción
Sumario:An increasing number of newly synthesized materials have been found to be previously present in databases of predicted porous materials. This has been observed not only for zeolites, but also for other inorganic materials and for MOFs. We here quantify the number of synthesized zeolites that are present in a large database of predicted zeolite structures as well as the number of other inorganic crystals and MOFs present in this same database. We find a significant number of real materials are in this predicted database of zeolite-like structures. These results suggest that many other predicted structures in this database may be suitable targets for designer materials synthesis.