Theoretical Study of Zirconium Isomorphous Substitution into Zeolite Frameworks

Systematic periodic density functional theory computations including dispersion correction (DFT-D) were carried out to determine the preferred location site of Zr atoms in sodalite (SOD) and CHA-type topology frameworks, including alumino-phosphate-34 (AlPO-34) and silico-alumino-phosphate-34 (SAPO-...

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Detalles Bibliográficos
Autores principales: Li, Duichun, Xing, Bin, Wang, Baojun, Li, Ruifeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6943428/
https://www.ncbi.nlm.nih.gov/pubmed/31817516
http://dx.doi.org/10.3390/molecules24244466

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6943428/
https://www.ncbi.nlm.nih.gov/pubmed/31817516
http://dx.doi.org/10.3390/molecules24244466

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