1.
Angew Chem Int Ed Engl
; 60(10): 5132-5135, 2021 03 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33315307
RESUMO
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.