Literature DB >> 33315307

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

Magnus Fant1, Mattias Ångqvist1, Anders Hellman2, Paul Erhart1.   

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.
© 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.

Entities:  

Keywords:  Al distribution; Loewenstein rule; catalysis; zeolites

Year:  2021        PMID： 33315307      PMCID： PMC7986852          DOI： 10.1002/anie.202013256

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  15 in total

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Journal:  J Phys Condens Matter       Date:  2017-03-21       Impact factor: 2.333

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Journal:  Science       Date:  2017-08-17       Impact factor: 47.728

6.  Cooperative and Competitive Occlusion of Organic and Inorganic Structure-Directing Agents within Chabazite Zeolites Influences Their Aluminum Arrangement.

Authors:  John R Di Iorio; Sichi Li; Casey B Jones; Claire T Nimlos; Yujia Wang; Eduard Kunkes; Vivek Vattipalli; Subramanian Prasad; Ahmad Moini; William F Schneider; Rajamani Gounder
Journal:  J Am Chem Soc       Date:  2020-02-28       Impact factor: 15.419

7.  Recent advances in automotive catalysis for NOx emission control by small-pore microporous materials.

Authors:  A M Beale; F Gao; I Lezcano-Gonzalez; C H F Peden; J Szanyi
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8.  A link between reactivity and local structure in acid catalysis on zeolites.

Authors:  Aditya Bhan; Enrique Iglesia
Journal:  Acc Chem Res       Date:  2008-02-16       Impact factor: 22.384

9.  Energy Analysis of Aluminosilicate Zeolites with Comprehensive Ranges of Framework Topologies, Chemical Compositions, and Aluminum Distributions.

Authors:  Koki Muraoka; Watcharop Chaikittisilp; Tatsuya Okubo
Journal:  J Am Chem Soc       Date:  2016-05-03       Impact factor: 15.419

10.  Violations of Löwenstein's rule in zeolites.

Authors:  Rachel E Fletcher; Sanliang Ling; Ben Slater
Journal:  Chem Sci       Date:  2017-09-05       Impact factor: 9.825
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  1 in total

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

Authors:  Magnus Fant; Mattias Ångqvist; Anders Hellman; Paul Erhart
Journal:  Angew Chem Int Ed Engl       Date:  2021-01-22       Impact factor: 15.336
  1 in total

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