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dc.contributor.authorSapnik, Adam F
dc.contributor.authorBechis, Irene
dc.contributor.authorBumstead, Alice M
dc.contributor.authorJohnson, Timothy
dc.contributor.authorChater, Philip A
dc.contributor.authorKeen, David A
dc.contributor.authorJelfs, Kim E
dc.contributor.authorBennett, Thomas
dc.date.accessioned2022-06-03T23:30:11Z
dc.date.available2022-06-03T23:30:11Z
dc.date.issued2022-04-21
dc.identifier.issn2041-1723
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/337698
dc.description.abstractThe rational design of disordered frameworks is an appealing route to target functional materials. However, intentional realisation of such materials relies on our ability to readily characterise and quantify structural disorder. Here, we use multivariate analysis of pair distribution functions to fingerprint and quantify the disorder within a series of compositionally identical metal-organic frameworks, possessing different crystalline, disordered, and amorphous structures. We find this approach can provide powerful insight into the kinetics and mechanism of structural collapse that links these materials. Our methodology is also extended to a very different system, namely the melting of a zeolitic imidazolate framework, to demonstrate the potential generality of this approach across many areas of disordered structural chemistry.
dc.description.sponsorshipJM11106 EPSRC iCASE Funding
dc.publisherSpringer Science and Business Media LLC
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleMultivariate analysis of disorder in metal-organic frameworks.
dc.typeArticle
dc.publisher.departmentDepartment of Materials Science And Metallurgy
dc.date.updated2022-03-31T14:18:00Z
prism.publicationNameNat Commun
dc.identifier.doi10.17863/CAM.85104
dcterms.dateAccepted2022-03-30
rioxxterms.versionofrecord10.1038/s41467-022-29849-6
rioxxterms.versionVoR
dc.contributor.orcidSapnik, Adam F [0000-0001-6200-4208]
dc.contributor.orcidBechis, Irene [0000-0001-7322-2446]
dc.contributor.orcidBumstead, Alice M [0000-0001-9269-1731]
dc.contributor.orcidJohnson, Timothy [0000-0003-4651-7374]
dc.contributor.orcidChater, Philip A [0000-0002-5513-9400]
dc.contributor.orcidKeen, David A [0000-0003-0376-2767]
dc.contributor.orcidJelfs, Kim E [0000-0001-7683-7630]
dc.contributor.orcidBennett, Thomas [0000-0003-3717-3119]
dc.identifier.eissn2041-1723
rioxxterms.typeJournal Article/Review
pubs.funder-project-idRoyal Society (UF150021)
pubs.funder-project-idRoyal Society (RGF\EA\180092)
pubs.funder-project-idEPSRC (2104615)
cam.issuedOnline2022-04-21
datacite.issupplementedby.urlhttps://doi.org/10.17863/CAM.80890
cam.depositDate2022-03-31
pubs.licence-identifierapollo-deposit-licence-2-1
pubs.licence-display-nameApollo Repository Deposit Licence Agreement


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Attribution 4.0 International
Except where otherwise noted, this item's licence is described as Attribution 4.0 International