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Structural modifications and thermal stability of Cd2+ -exchanged stellerite, a zeolite with STI framework-type
Cametti, G.; Scheinost, A. C.; Churakov, S. V.
The structure and thermal stability of a Cd2+-exchanged zeolite with STI framework type was investigated by combining single crystal X-ray diffraction (SCXRD), ab initio molecular dynamic (MD) simulations and X-ray absorption fine structure spectroscopy (XAFS). The room temperature structure was found to be monoclinic, space group F2/m. The Cd2+ ions were disordered at partially occupied sites with maximum occupancy of 0.38(2). MD simulations and XAFS spectroscopy indicated that Cd forms Cd(H2O) 2+6 complexes distributed within the t-sti-1* cage running parallel to . The dehydration was monitored in situ by SCXRD. Upon heating a new contracted phase was observed at 225 C. Compared to the pristine material, the Cd2+-exchanged
structure started collapsing already at 325 C, pointing out a reduced thermal stability.
Keywords: zeolite; molecular dynamics; EXAFS; stellerite
- DOI: 10.1107/S1600577520014265 is cited by this (Id 29487) publication
Journal of Physical Chemistry C 123(2019), 25236-25245
Online First (2019) DOI: 10.1021/acs.jpcc.9b07297
Cited 8 times in Scopus
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