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

ABSTRACT: 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 can be rationally extended using the chabasite framework for demonstration.

SUBMITTER: Fant M 

PROVIDER: S-EPMC7986852 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature