Structural Studies of Aluminated form of Zeolites-EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling.
Molecules
; 26(12)2021 Jun 10.
Article
en En
| MEDLINE
| ID: mdl-34200976
ABSTRACT
In this article, the results of computational structural studies on Al-containing zeolites, via periodic DFT + D modelling and FDM (Finite Difference Method) to solve the Schrödinger equation (FDMNES) for XAS simulations, corroborated by EXAFS (Extended X-ray Absorption Fine Structure) spectroscopy and PXRD (powder X-ray diffractometry), are presented. The applicability of Radial Distribution Function (RDF) to screen out the postulated zeolite structure is also discussed. The structural conclusions are further verified by HR-TEM imaging.
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Molecules
Asunto de la revista:
BIOLOGIA
Año:
2021
Tipo del documento:
Article
País de afiliación:
Polonia