Multivariate analysis of disorder in metal–organic frameworks

Adam F. Sapnik; Irene Bechis; Alice M. Bumstead; Timothy Johnson; Philip A. Chater; David A. Keen; Kim E. Jelfs; Thomas D. Bennett

doi:10.1038/s41467-022-29849-6

Nature Communications (Apr 2022)

Multivariate analysis of disorder in metal–organic frameworks

Adam F. Sapnik,
Irene Bechis,
Alice M. Bumstead,
Timothy Johnson,
Philip A. Chater,
David A. Keen,
Kim E. Jelfs,
Thomas D. Bennett

Affiliations

Adam F. Sapnik: Department of Materials Science and Metallurgy, University of Cambridge
Irene Bechis: Department of Chemistry, Imperial College London, Molecular Sciences Research Hub, White City Campus
Alice M. Bumstead: Department of Materials Science and Metallurgy, University of Cambridge
Timothy Johnson: Johnson Matthey Technology Centre, Blount’s Court, Sonning Common
Philip A. Chater: Diamond Light Source Ltd, Diamond House, Harwell Campus
David A. Keen: ISIS Neutron and Muon Facility, Rutherford Appleton Laboratory, Harwell Campus
Kim E. Jelfs: Department of Chemistry, Imperial College London, Molecular Sciences Research Hub, White City Campus
Thomas D. Bennett: Department of Materials Science and Metallurgy, University of Cambridge

DOI: https://doi.org/10.1038/s41467-022-29849-6
Journal volume & issue: Vol. 13, no. 1
pp. 1 – 13

Abstract

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Structural disorder in materials is challenging to characterise. Here, the authors use multivariate analysis of atomic pair distribution functions to study structural collapse and melting of metal–organic frameworks, revealing powerful mechanistic and kinetic insight.

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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