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Change in the Nature of ZSM-5 Zeolite Depending on the Type of Metal Adsorbent—The Analysis of DOS and Orbitals for Iron Species
Transition-metal-modified zeolites have recently gained the greatest interest among scientists. Ab initio calculations within the density functional theory were used. The exchange and correlation functional was approximated with the Perdew–Burke–Ernzerhof (PBE) functional. Cluster models of ZSM-5 (A...
Autores principales: | Kurzydym, Izabela, Garbujo, Alberto, Biasi, Pierdomenico, Czekaj, Izabela |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9967764/ https://www.ncbi.nlm.nih.gov/pubmed/36834785 http://dx.doi.org/10.3390/ijms24043374 |
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