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To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule

Loewenstein's rule, which states that Al−O−Al motifs are energetically unstable, is fundamental to the understanding and design of zeolites. Here, using a combination of electronic structure calculations and lattice models, we show under which circumstances this rule becomes invalid and how it...

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Detalles Bibliográficos
Autores principales: Fant, Magnus, Ångqvist, Mattias, Hellman, Anders, Erhart, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7986852/
https://www.ncbi.nlm.nih.gov/pubmed/33315307
http://dx.doi.org/10.1002/anie.202013256