Retrofitting metal-organic frameworks

Christian Schneider; David Bodesheim; Julian Keupp; Rochus Schmid; Gregor Kieslich

doi:10.1038/s41467-019-12876-1

Nature Communications (Oct 2019)

Retrofitting metal-organic frameworks

Christian Schneider,
David Bodesheim,
Julian Keupp,
Rochus Schmid,
Gregor Kieslich

Affiliations

Christian Schneider: Department of Chemistry, Technical University of Munich
David Bodesheim: Department of Chemistry, Technical University of Munich
Julian Keupp: Computational Materials Chemistry Group, Fakultät für Chemie und Biochemie, Ruhr-Universität Bochum
Rochus Schmid: Computational Materials Chemistry Group, Fakultät für Chemie und Biochemie, Ruhr-Universität Bochum
Gregor Kieslich: Department of Chemistry, Technical University of Munich

DOI: https://doi.org/10.1038/s41467-019-12876-1
Journal volume & issue: Vol. 10, no. 1
pp. 1 – 10

Abstract

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Retrofitting is recognized as a powerful tool to control the structure and the corresponding functionality in MOFs. Here, the authors develop a low-cost computational framework to guide experimentalists for retrofitting experiments in MOFs and test it on the prototypical Cu3BTC2 MOF.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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