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FAU_t-nets.pdf (3.08 MB)

Potential Zeolites Related to Faujasite (FAU): Structures and Energetics.

preprint
submitted on 04.07.2020 and posted on 06.07.2020 by Olaf Delgado Friedrichs, Martin D. Foster, Michael O'Keeffe, Michael Treacy
We present a small set hypothetical zeolite frameworks that are structurally related to faujasite. They are found by examination of the -t nets of the Frank-Kasper phases, which optimize the conditions for regular-tetrahedral nets. The new frameworks have plausible framework energy, as estimated by empirical potential in the GULP program. One of the new frameworks, fav, has framework energy, as a pure silicate, that is only slightly higher than faujasite itself. These present appealing zeolite synthesis targets.

History

Email Address of Submitting Author

treacy@asu.edu

Institution

Arizona State University

Country

United States

ORCID For Submitting Author

0000-0002-6552-1363

Declaration of Conflict of Interest

None

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