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dc.contributor.authorNagane, S
dc.contributor.authorHope, mic
dc.contributor.authorKubicki, D
dc.contributor.authorLi, weiwei
dc.contributor.authorVerma, S
dc.contributor.authorFerrer Orri, Jordi
dc.contributor.authorChiang, Y
dc.contributor.authorDriscoll, J
dc.contributor.authorGrey, Clare
dc.contributor.authorStranks, Samuel
dc.description.abstractHybrid perovskite-based optoelectronic devices are demonstrating unprecedented growth in performance, and defect passivation approaches are highly promising routes to further improve properties. Here, the effect of the molecular ion BF4-, introduced via methylammonium tetrafluoroborate (MABF4) in a surface treatment for MAPbI3 perovskite is reported. The optical spectroscopic characterisations shows that the introduction of tetrafluoroborate leads to reduced non-radiative charge carrier recombination with a reduction in first order recombination rate from 6.5 × 106 to 2.5 × 105 s-1 in BF4--treated samples, and a consequent increase in photoluminescence quantum yield by an order of magnitude (from 0.5% to 10.4%). 19F, 11B and 14N solid-state NMR is used to elucidate the atomic-level mechanism of the BF4- additive-induced improvements, revealing that the BF4- acts as a scavenger of excess MAI by forming MAI–MABF4 cocrystals. This shifts the equilibrium of iodide concentration in the perovskite phase is presumably due to the formation of MAI-MABF4 cocrystal, thereby reducing the concentration of interstitial iodide defects that act as deep traps and non-radiative recombination centers. These collective results allow us, for the first time, to elucidate the microscopic mechanism of action of BF4-.
dc.description.sponsorshipS.N. would like to acknowledge Royal Society-SERB Newton International Fellowship for funding. S.D.S. acknowledges the Royal Society and Tata Group (UF150033) and the EPSRC (EP/R023980/1). This work has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No. 841136. M.A.H. acknowledges support from the Royal Society (RP/R1/180147). S.M. thanks the EPRSC for funding. J.L.M-D. and W.-W. L. thank the UK Royal Academy of Engineering, grant CiET1819_24, EPSRC grants EP/N004272/1, EP/P007767/1, the Winton Programme for the Physics of Sustainability, and Bill Welland.
dc.rightsAttribution 4.0 International (CC BY)
dc.titleTetrafluoroborate-Induced Reduction in Defect Density in Hybrid Perovskites through Halide Management
prism.publicationNameAdvanced Materials
dc.contributor.orcidNagane, Satyawan [0000-0002-1146-4754]
dc.contributor.orcidKubicki, Dominik [0000-0002-9231-6779]
dc.contributor.orcidFerrer Orri, Jordi [0000-0002-0432-5932]
dc.contributor.orcidDriscoll, Judith [0000-0003-4987-6620]
dc.contributor.orcidGrey, Clare [0000-0001-5572-192X]
dc.contributor.orcidStranks, Samuel [0000-0002-8303-7292]
rioxxterms.typeJournal Article/Review
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)
pubs.funder-project-idRoyal Society (NIF\R1\181365)
pubs.funder-project-idEuropean Commission Horizon 2020 (H2020) Marie Sk?odowska-Curie actions (841136)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/N004272/1)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P007767/1)
cam.orpheus.successMon Jul 12 07:31:17 BST 2021 - Embargo updated

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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)