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How crystallization additives govern halide perovskite grain growth

Timo MaschwitzInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyLena MertenDivision of Physical Chemistry, Lund University, Lund, SwedenFeray ÜnlüHySPRINT Innovation Lab, Helmholtz-Zentrum Berlin für Materialen und Energie GmbH, Berlin, GermanyMartin MajewskiHelmholtz Institute Erlangen-Nürnberg for Renewable Energy (HIERN), Forschungszentrum Jülich, Nürnberg, GermanyFatemeh Haddadi BarzokiInorganic Chemistry III and Bavarian Center for Battery Technology (BayBatt), University of Bayreuth, Bayreuth, GermanyZijin WuCenter for Computational Energy Research, Department of Applied Physics and Science Education, Eindhoven, The NetherlandsSeren Dilara ÖzChair for Material and Surface Analysis, University of Wuppertal, Wuppertal, GermanyCedric KreuselInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyManuel TheisenInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyPang WangInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyMaximilian SchifferInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyGianluca BoccarellaInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyGregor MariothInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyHenrik WeidnerInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanySarah SchultheisInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyTim SchiefersteinInstitute of Electronic Devices, University of Wuppertal, Wuppertal, GermanyDawid GidaszewskiEindhoven Institute for Renewable Energy Systems (EIRES) Eindhoven University of Technology, Eindhoven, The NetherlandsZavkiddin JullievInstitute of Polymer Chemistry and Physics, Academy of Science of the Republic of Uzbekistan, Tashkent, UzbekistanEkaterina KneschaurekInstitute of Applied Physics, University of Tübingen, Tübingen, GermanyValentin MunteanuInstitute of Applied Physics, University of Tübingen, Tübingen, GermanyIvan A. ZaluzhnyyInstitute of Applied Physics, University of Tübingen, Tübingen, GermanyFlorian BertramDeutsches Elektronen-Synchrotron DESY, Hamburg, GermanyAnaël JaffrèsInstitute of Electrical and Microengineering (IEM), Ecole Polytechnique Fédérale de Lausanne (EPFL), Photovoltaics and Thin-Film Electronics Laboratory, Neuchâtel, SwitzerlandJunjie HeDepartment of Science and Technology, Yunnan Agricultural University, Kunming, ChinaN. R. AshurovInstitute of Polymer Chemistry and Physics, Academy of Science of the Republic of Uzbekistan, Tashkent, UzbekistanMartin StolterfohtElectronic Engineering Department, The Chinese University of Hong Kong, Hong Kong, SAR, ChinaChristian M. WolffInstitute of Electrical and Microengineering (IEM), Ecole Polytechnique Fédérale de Lausanne (EPFL), Photovoltaics and Thin-Film Electronics Laboratory, Neuchâtel, SwitzerlandEva UngerHySPRINT Innovation Lab, Helmholtz-Zentrum Berlin für Materialen und Energie GmbH, Berlin, GermanySelina OlthofChair for Material and Surface Analysis, University of Wuppertal, Wuppertal, GermanyGeert BrocksCenter for Computational Energy Research, Department of Applied Physics and Science Education, Eindhoven, The NetherlandsShuxia TaoCenter for Computational Energy Research, Department of Applied Physics and Science Education, Eindhoven, The NetherlandsHelen GrüningerInorganic Chemistry III and Bavarian Center for Battery Technology (BayBatt), University of Bayreuth, Bayreuth, GermanyOlivier J. J. RonsinHelmholtz Institute Erlangen-Nürnberg for Renewable Energy (HIERN), Forschungszentrum Jülich, Nürnberg, GermanyJens HartingHelmholtz Institute Erlangen-Nürnberg for Renewable Energy (HIERN), Forschungszentrum Jülich, Nürnberg, GermanyAndreas KotthausDepartment of Organic Chemistry, Bergische Universität Wuppertal, Wuppertal, Germany. [email protected]Stefan F. KirschDepartment of Organic Chemistry, Bergische Universität Wuppertal, Wuppertal, GermanySanjay MathurInstitute of Inorganic and Materials Chemistry, University of Cologne, Cologne, GermanyAlexander HinderhoferInstitute of Applied Physics, University of Tübingen, Tübingen, Germany. [email protected]Frank SchreiberInstitute of Applied Physics, University of Tübingen, Tübingen, GermanyThomas RiedlInstitute of Electronic Devices, University of Wuppertal, Wuppertal, Germany. [email protected]Kai Oliver BrinkmannInstitute of Electronic Devices, University of Wuppertal, Wuppertal, Germany. [email protected]

Nature Communicationsjournal2025en

ABI

Annotatsiya

The preparation of perovskite solar cells from the liquid phase is a cornerstone of their immense potential. However, a clear relationship between the precursor ink and the formation of the resulting perovskite is missing. Established theories, such as heterogeneous nucleation and lead complex colloid formation, often prove unreliable, which has led to an overreliance on heuristics. Most high-performing perovskites use additives to control crystallization. Their role during crystallization is, however, elusive. Here, we provide evidence that typical crystallization additives do not predominantly impact the nucleation phase but rather facilitate coarsening grain growth by increasing ion mobility across grain boundaries. Drawing from the insights of our broad, interdisciplinary study that combines ex and in situ characterization methods, devices, simulations, and density function theory calculation, we propose a concept that proves valid for various additives and perovskite formulations. Moreover, we establish a direct link between additive engineering and perovskite post-processing, offering a unified framework for advancing material design and process engineering.

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Perovskite Materials and Applications Advancements in Solid Oxide Fuel Cells Machine Learning in Materials Science

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DOI: 10.1038/s41467-025-65484-7

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