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dc.contributor.authorZou, Yatao
dc.contributor.authorTeng, Pengpeng
dc.contributor.authorXu, Weidong
dc.contributor.authorZheng, Guanhaojie
dc.contributor.authorLin, Weihua
dc.contributor.authorYin, Jun
dc.contributor.authorKobera, Libor
dc.contributor.authorAbbrent, Sabina
dc.contributor.authorLi, Xiangchun
dc.contributor.authorSteele, Julian A.
dc.contributor.authorSolano, Eduardo
dc.contributor.authorRoeffaers, Maarten B. J.
dc.contributor.authorLi, Jun
dc.contributor.authorCai, Lei
dc.contributor.authorKuang, Chaoyang
dc.contributor.authorScheblykin, Ivan G.
dc.contributor.authorBrus, Jiri
dc.contributor.authorZheng, Kaibo
dc.contributor.authorYang, Ying
dc.contributor.authorMohammed, Omar F.
dc.contributor.authorBakr, Osman
dc.contributor.authorPullerits, Tönu
dc.contributor.authorBai, Sai
dc.contributor.authorSun, Baoquan
dc.contributor.authorGao, Feng
dc.date.accessioned2021-08-11T10:55:14Z
dc.date.available2021-08-11T10:55:14Z
dc.date.issued2021-08-10
dc.date.submitted2021-01-22
dc.identifier.citationZou, Y., Teng, P., Xu, W., Zheng, G., Lin, W., Yin, J., … Gao, F. (2021). Manipulating crystallization dynamics through chelating molecules for bright perovskite emitters. Nature Communications, 12(1). doi:10.1038/s41467-021-25092-7
dc.identifier.issn2041-1723
dc.identifier.doi10.1038/s41467-021-25092-7
dc.identifier.urihttp://hdl.handle.net/10754/670557
dc.description.abstractAbstractMolecular additives are widely utilized to minimize non-radiative recombination in metal halide perovskite emitters due to their passivation effects from chemical bonds with ionic defects. However, a general and puzzling observation that can hardly be rationalized by passivation alone is that most of the molecular additives enabling high-efficiency perovskite light-emitting diodes (PeLEDs) are chelating (multidentate) molecules, while their respective monodentate counterparts receive limited attention. Here, we reveal the largely ignored yet critical role of the chelate effect on governing crystallization dynamics of perovskite emitters and mitigating trap-mediated non-radiative losses. Specifically, we discover that the chelate effect enhances lead-additive coordination affinity, enabling the formation of thermodynamically stable intermediate phases and inhibiting halide coordination-driven perovskite nucleation. The retarded perovskite nucleation and crystal growth are key to high crystal quality and thus efficient electroluminescence. Our work elucidates the full effects of molecular additives on PeLEDs by uncovering the chelate effect as an important feature within perovskite crystallization. As such, we open new prospects for the rationalized screening of highly effective molecular additives.
dc.description.sponsorshipThe authors thank Prof. Annamaria Petrozza, Dr. Tiankai Zhang for valuable discussions, and Kaichuan Wen and Prof. Jianpu Wang for help with the PLQE measurements. We acknowledge the support from the ERC Starting Grant (No. 717026), the Swedish Energy Agency Energimyndigheten (Nos. 48758-1 and 44651-1), Swedish Research Council VR, NanoLund, and the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009-00971). The authors would like to thank the NCD-SWEET beamline at ALBA Synchrotron from Spain for providing the beamtime. J.Y, O.F.M., and O.M.B. acknowledge the Supercomputing Laboratory at KAUST for their computational and storage resources. Y.Z., L.C., and B.S. thanks the National Natural Science Foundation of China (91833303, 61974098, 62005126), the National Key Research and Development Program (2016YFA0201900), Jiangsu High Educational Natural Science Foundation (18KJA430012), the 111 Program and Collaborative Innovation Center of Suzhou Nano Science and Technology, and Collaborative Innovation Center of Suzhou Nano Science & Technology. J.A.S. acknowledges financial support from the Research Foundation - Flanders (FWO: grant No.’s 12Y7218N and 12Y7221N). M.B.J.R. acknowledges financial support from the Research Foundation - Flanders (FWO, G098319N) and the KU Leuven Research Fund (C14/19/079). Y.Z. (No. 201806920071), P.T. (No. 201906830040, J.L. (No. 201608530162), W.L. (No. 201806460021) also thank the financial support from China Scholarship Council. F.G. is a Wallenberg Academy Fellow
dc.description.sponsorshipOpen access funding provided by Linköping University.
dc.publisherSpringer Science and Business Media LLC
dc.relation.urlhttps://www.nature.com/articles/s41467-021-25092-7
dc.rightsThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0
dc.titleManipulating crystallization dynamics through chelating molecules for bright perovskite emitters
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentFunctional Nanomaterials Lab (FuNL)
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentKAUST Solar Center (KSC)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentUltrafast Laser Spectroscopy and Four-dimensional Electron Imaging Research Group
dc.identifier.journalNature Communications
dc.eprint.versionPublisher's Version/PDF
dc.identifier.volume12
dc.identifier.issue1
kaust.personYin, Jun
kaust.personMohammed, Omar F.
kaust.personBakr, Osman M.
dc.date.accepted2021-07-20
refterms.dateFOA2021-08-11T10:57:15Z
kaust.acknowledged.supportUnitSupercomputing Laboratory at KAUST
dc.date.published-online2021-08-10
dc.date.published-print2021-12


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This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.
Except where otherwise noted, this item's license is described as This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder.