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Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals.

ABSTRACT: Colloidal chemistry grants access to a wealth of materials through simple and mild reactions. However, even few elements can combine in a variety of stoichiometries and structures, potentially resulting in impurities or even wrong products. Similar issues have been long addressed in organic chemistry by using reaction-directing groups, that are added to a substrate to promote a specific product and are later removed. Inspired by such approach, we demonstrate the use of CsPbCl₃ perovskite nanocrystals to drive the phase-selective synthesis of two yet unexplored lead sulfochlorides: Pb₃S₂Cl₂ and Pb₄S₃Cl₂. When homogeneously nucleated in solution, lead sulfochlorides form Pb₃S₂Cl₂ nanocrystals. Conversely, the presence of CsPbCl₃ triggers the formation of Pb₄S₃Cl₂/CsPbCl₃ epitaxial heterostructures. The phase selectivity is guaranteed by the continuity of the cationic subnetwork across the interface, a condition not met in a hypothetical Pb₃S₂Cl₂/CsPbCl₃ heterostructure. The perovskite domain is then etched, delivering phase-pure Pb₄S₃Cl₂ nanocrystals that could not be synthesized directly.

SUBMITTER: Toso S

PROVIDER: S-EPMC9270429 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals.

Toso Stefano S Imran Muhammad M Mugnaioli Enrico E Moliterni Anna A Caliandro Rocco R Schrenker Nadine J NJ Pianetti Andrea A Zito Juliette J Zaccaria Francesco F Wu Ye Y Gemmi Mauro M Giannini Cinzia C Brovelli Sergio S Infante Ivan I Bals Sara S Manna Liberato L

Nature communications 20220708 1

Colloidal chemistry grants access to a wealth of materials through simple and mild reactions. However, even few elements can combine in a variety of stoichiometries and structures, potentially resulting in impurities or even wrong products. Similar issues have been long addressed in organic chemistry by using reaction-directing groups, that are added to a substrate to promote a specific product and are later removed. Inspired by such approach, we demonstrate the use of CsPbCl<sub>3</sub> perovsk ...[more]

PMID: 35803933

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Project description:Colloidal epitaxial heterostructures are nanoparticles composed of two different materials connected at an interface, which can exhibit properties different from those of their individual components. Combining dissimilar materials offers exciting opportunities to create a wide variety of functional heterostructures. However, assessing structural compatibility─the main prerequisite for epitaxial growth─is challenging when pairing complex materials with different lattice parameters and crystal structures. This complicates both the selection of target heterostructures for synthesis and the assignment of interface models when new heterostructures are obtained. Here, we demonstrate Ogre as a powerful tool to accelerate the design and characterization of colloidal heterostructures. To this end, we implemented developments tailored for the high-efficiency prediction of epitaxial interfaces between ionic/polar materials, which encompass most colloidal semiconductors. These include the use of pre-screening candidate models based on charge balance at the interface and the use of a classical potential for fast energy evaluations, with parameters automatically calculated based on the input bulk structures. These developments are validated for perovskite-based CsPbBr3/Pb4S3Br2 heterostructures, where Ogre produces interface models in excellent agreement with density functional theory and experiments. Furthermore, we use Ogre to rationalize the templating effect of CsPbCl3 on the growth of lead sulfochlorides, where perovskite seeds induce the formation of Pb4S3Cl2 rather than Pb3S2Cl2 due to better epitaxial compatibility. Finally, combining Ogre simulations with experimental data enables us to unravel the structure and composition of the hitherto unsolved CsPbBr3/BixPbySz interface, and to assign a structure to several other reported metal halide- and oxide-based interfaces. The Ogre package is available on GitHub or via the OgreInterface desktop application, available for Windows, Linux, and Mac.

Dataset Information

Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals.

Publications

Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals.

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