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dc.contributor.authorKubicki, Dominik
dc.contributor.authorSaski, Marcin
dc.contributor.authorMacPherson, Stuart
dc.contributor.authorGalkowski, Krzysztof
dc.contributor.authorLewiński, Janusz
dc.contributor.authorProchowicz, Daniel
dc.contributor.authorTitman, Jeremy J
dc.contributor.authorStranks, Samuel
dc.date.accessioned2020-09-29T23:30:30Z
dc.date.available2020-09-29T23:30:30Z
dc.date.issued2020-10-13
dc.identifier.issn0897-4756
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/310877
dc.description.abstractAll-inorganic double perovskites (elpasolites) are a promising potential alternative to lead halide perovskite in optoelectronic applications. While halide mixing is a well-established strategy for band gap tuning, little is known about halide mixing and phase segregation phenomena in double perovskites. Here, we synthesize a wide range of single− and mixed−halide Cs2AgBiX6 (X=Cl, Br, I) double perovskites using mechanosynthesis and probe their atomic-level microstructure using 133Cs solid-state MAS NMR. We show that mixed Cl/Br materials form pure phases for any Cl/Br ratio while Cl/I and Br/I mixing is only possible with-in a narrow range of halide ratios (<3 mol% I) and leads to a complex mixture of products for higher ratios. We characterize the optical properties of the resulting materials and show that halide mixing does not lead to an appreciable tunability of the PL emission. We find that iodide incorporation is particularly pernicious in that it quenches the PL emission intensity and radiative charge carrier lifetimes for iodide ratios as low as 0.3 mol%. Our study shows that sol-id-state NMR, in conjunction with optical spectroscopies, provides a comprehensive understanding of the structure-activity relationships, halide mixing and phase segregation phenomena in Cs2AgBiX6 (X=Cl, Br, I) double perovskites.
dc.languageen
dc.publisherAmerican Chemical Society (ACS)
dc.rightsAttribution 4.0 International (CC BY)
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleHalide Mixing and Phase Segregation in Cs2AgBiX6 (X=Cl, Br, I) Double Perovskites from Cesium-133 Solid-State NMR and Optical Spectroscopy
dc.typeArticle
prism.numberacs.chemmater.0c01255
prism.publicationNameChemistry of Materials
dc.identifier.doi10.17863/CAM.57968
dcterms.dateAccepted2020-09-17
rioxxterms.versionofrecord10.1021/acs.chemmater.0c01255
rioxxterms.versionVoR
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2020-09-17
dc.contributor.orcidKubicki, Dominik [0000-0002-9231-6779]
dc.contributor.orcidMacPherson, Stuart [0000-0003-3758-1198]
dc.contributor.orcidStranks, Samuel [0000-0002-8303-7292]
dc.identifier.eissn1520-5002
rioxxterms.typeJournal Article/Review
pubs.funder-project-idEuropean Commission Horizon 2020 (H2020) Marie Sk?odowska-Curie actions (841136)
pubs.funder-project-idRoyal Society (UF150033)
pubs.funder-project-idEuropean Research Council (756962)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/R023980/1)
cam.issuedOnline2020-09-17
cam.orpheus.successTue Oct 06 10:24:25 BST 2020 - Embargo updated
rioxxterms.freetoread.startdate2100-01-01


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