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dc.contributor.authorTian, Jiyu
dc.contributor.authorCordes, David B.
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorZysman-Colman, Eli
dc.contributor.authorMorrison, Finlay D.
dc.identifier.citationTian , J , Cordes , D B , Slawin , A M Z , Zysman-Colman , E & Morrison , F D 2021 , ' Progressive polytypism and bandgap tuning in azetidinium lead halide perovskites ' , Inorganic Chemistry , vol. 60 , no. 16 , pp. 12247–12254 .
dc.identifier.otherPURE: 275294032
dc.identifier.otherPURE UUID: b3d873ef-7b53-478c-9367-4f097dbab359
dc.identifier.otherRIS: urn:B62D2216DC63E9F356E2BC250F0B1004
dc.identifier.otherORCID: /0000-0002-2813-3142/work/98196619
dc.identifier.otherORCID: /0000-0002-9527-6418/work/98196629
dc.identifier.otherORCID: /0000-0002-5366-9168/work/98196684
dc.identifier.otherORCID: /0000-0001-7183-6022/work/98197042
dc.identifier.otherScopus: 85112714655
dc.identifier.otherWOS: 000687044700059
dc.descriptionWe thank the Chinese Scholarship Council for Ph.D. Studentship support (to J.T., CSC No. 201603780020).en
dc.description.abstractMixed halide azetidinium lead perovskites AzPbBr3–xXx (X = Cl or I) were obtained by mechanosynthesis. With varying halide composition from Cl– to Br– to I–, the chloride and bromide analogues both form in the hexagonal 6H polytype while the iodide adopts the 9R polytype. An intermediate 4H polytype is observed for mixed Br/I compositions. Overall, the structure progresses from 6H to 4H to 9R perovskite polytype with varying halide composition. Rietveld refinement of the powder X-ray diffraction patterns revealed a linear variation in unit cell volume as a function of the average radius of the anion, which not only is observed within the solid solution of each polytype (according to Vegard’s law) but also extends uniformly across all three polytypes. This is correlated to a progressive (linear) tuning of the bandgap from 3.43 to 2.00 eV. Regardless of halide, the family of azetidinium halide perovskite polytypes are highly stable, with no discernible change in properties over more than 6 months under ambient conditions.
dc.relation.ispartofInorganic Chemistryen
dc.rightsCopyright © 2021 American Chemical Society. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at
dc.subjectInorganic compoundsen
dc.subjectQD Chemistryen
dc.titleProgressive polytypism and bandgap tuning in azetidinium lead halide perovskitesen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.description.statusPeer revieweden

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