Show simple item record

dc.contributor.authorBennett, Thomas
dc.contributor.authorSapnik, Adam
dc.contributor.authorBechis, Irene
dc.contributor.authorBumstead, Alice
dc.contributor.authorJohnson, Timothy
dc.contributor.authorChater, Philip
dc.contributor.authorKeen, David
dc.contributor.authorJelfs, Kim
dc.date.accessioned2022-05-23T01:02:39Z
dc.date.available2022-05-23T01:02:39Z
dc.date.issued2022-04-21
dc.identifier.issn2041-1723
dc.identifier.other35449202
dc.identifier.otherPMC9023516
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/337383
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.languageeng
dc.publisherNature Research
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourcenlmid: 101528555
dc.sourceessn: 2041-1723
dc.titleMultivariate Analysis of Disorder in Metal–Organic Frameworks
dc.typeArticle
dc.date.updated2022-05-23T01:02:38Z
prism.issueIdentifier1
prism.publicationNameNature Communications
prism.volume13
dc.identifier.doi10.17863/CAM.84797
dcterms.dateAccepted2022-03-31
rioxxterms.versionofrecord10.1038/s41467-022-29849-6
rioxxterms.versionVoR
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by/4.0/
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 D [0000-0003-3717-3119]
dc.identifier.eissn2041-1723
dc.publisher.urlhttps://www.nature.com/articles/s41467-022-29849-6#rightslink
pubs.funder-project-idRoyal Society (UF150021)
pubs.funder-project-idRoyal Society (RGF\EA\180092)
pubs.funder-project-idEPSRC (2104615)
cam.issuedOnline2022-04-21


Files in this item

Thumbnail
Thumbnail

This item appears in the following Collection(s)

Show simple item record

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