Mordenite 1 to 6 Al atoms

Published: 5 January 2024| Version 1 | DOI: 10.17632/vb8hdbg4x4.1
Contributor:
joel Antúnez-García

Description

Optimized configurations for mordenite framework, as a result of the isomorphic substitution of 1 to 6 Si atoms by Al in the unit cell.

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Institutions

Consorcio Universidad Nacional Autonoma de Mexico

Categories

Density Functional Theory, Porous Material, High-Silica Zeolite, Low-Silica Zeolite, Mordenite Framework Inverted Zeolite, Computational Nanotechnology

Related Links

Article
https://doi.org/10.1016/j.jssc.2021.122725
is source of this dataset

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