Abstract
The local structure of Co2+ at the \(\alpha \)-, \(\beta \), and \(\gamma \)-cation sites of zeolite ZSM-5 was calculated in terms of density functional theory using the cluster approach. The local geometry of the oxygen environment of Co2+ is characterized; it is found that the ion stabilization energy increases in the series \(\alpha \to \beta \to \gamma \).
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Kirillov, M.A., Zhidomirov, G.M. Cluster Models of Co2+ at the Cation Sites of Zeolite ZSM-5. Journal of Structural Chemistry 43, 225–228 (2002). https://doi.org/10.1023/A:1019684020731
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DOI: https://doi.org/10.1023/A:1019684020731