A high-pressure phase with a non-centrosymmetric crystal structure in the PbSe–PbBr2 system

Ni, Danrui; Guo, Shu; Powderly, Kelly M.; Zhong, Ruidan; Cava, R. J.

doi:10.1016/j.jssc.2019.120982

Cited by 7 publications

(25 citation statements)

References 41 publications

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“…Driven by this finding, we searched the literature for comparable structures and found that Ni et al recently reported the bulk synthesis (4 GPa, 700 °C) and complete structural characterization of the high-pressure phase Pb 3 Se 2 Br 2 . 20 Given the resemblances of stoichiometries and XRPD patterns, our hypothesis was that we had found an isostructural compound: to confirm it, we Rietveld fitted the XRPD pattern of Pb 3 S 2 Cl 2 NC with a model adapted from that published by Ni et al by replacing Se with S and Br with Cl, and we found a good match ( Figure S34 and Table S10 ). The slight misplacement of the peaks is probably due to a slight deformation of the originally cubic unit cell, but the excessive broadening of the reflections due to the small size of NCs prevented us from gaining a better insight of the material structure.…”

Section: Results and Discussionmentioning

confidence: 53%

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Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

et al. 2020

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We report the colloidal synthesis of a series of surfactant-stabilized lead chalcohalide nanocrystals. Our work is mainly focused on Pb 4 S 3 Br 2 , a chalco-halide phase unknown to date that does not belong to the ambient-pressure PbS-PbBr 2 phase diagram. The Pb 4 S 3 Br 2 nanocrystals herein feature a remarkably narrow size distribution (with a size dispersion as low as 5%) a good size tunability (from 7 to ∼30 nm), an indirect bandgap, photoconductivity (responsivity = 4 ± 1 mA/W) and stability for months under air. A crystal download file view on ChemRxiv 200401-PbBrS Main Text.pdf (7.35 MiB) download file view on ChemRxiv 200401-PbBrS SI.pdf (23.19 MiB) download file view on ChemRxiv Pb4S3Br2_DFT.cif (1.57 KiB) download file view on ChemRxiv Pb4S3Br2_Rietveld.cif (0.96 KiB) download file view on ChemRxiv Pb3S2Cl2_Rietveld.cif (2.31 KiB) download file view on ChemRxiv Movie_S2.avi (10.05 MiB) download file view on ChemRxiv Movie_S3.avi (8.13 MiB) download file view on ChemRxiv Movie_S1.avi (45.89 MiB)

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Section: Results and Discussionmentioning

confidence: 53%

“…Indeed, Ni et al recently synthesized in bulk two high-pressure phases, namely, Pb 4 S 3 I 2 and Pb 3 Se 2 Br 2 , by means of a high-pressure solid-state reaction. 20 , 21…”

Section: Introductionmentioning

confidence: 99%

Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

et al. 2020

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“…The composition measured by SEM-EDX was Pb:S:Cl = 3.2:1.8:2.0, which is compatible with our previously advanced hypothesis of a Pb3S2Cl2 compound. 25 However, the X-Ray Powder Diffraction (XRPD) pattern could not be fitted based on the supposedly related Pb3Se2Br2 cubic prototype, 25,31 suggesting a different structure. Therefore, we exploited a combination of techniques to solve it.…”

Section: Resultsmentioning

confidence: 99%

“…These materials share the general formula PbaEbXc, and only four stable compositions are known in bulk (PbTeF6, Pb7S2Br10, Pb5S2I6, Pb4SeBr6), 28,29 together with two recently reported high-pressure metastable phases (Pb4S3I2, Pb3Se2Br2). 30,31 Our group pioneered the investigation of lead chalcohalides at the nanoscale, discovering two additional compounds (Pb4S3Br2 and a yet not identified Pb-S-Cl phase) in the form of NCs. 25 More recently, we found that Pb4S3Br2 can match epitaxially the CsPbX3 perovskite to form colloidal heterostructures, thus demonstrating a remarkable synthetic and structural compatibility.…”

Section: Introductionmentioning

confidence: 99%

“…26 Here we focus our attention on the lead sulfochlorides, demonstrating that the yet unknown Pb-S-Cl phase obtained through direct synthesis is Pb3S2Cl2, whose structure, here identified as monoclinic and solved for the first time, is a distorted version of the cubic Pb3Se2Br2 prototype (Figure 1, left panels). 31 Conversely, the introduction of CsPbCl3 nanoclusters in the reaction medium, under comparable reaction conditions, produces Pb4S3Cl2/CsPbCl3 heterostructures while suppressing the formation of Pb3S2Cl2. Once the heterostructures are formed, the perovskite domain can be etched by exploiting the solubility of CsPbCl3 in polar solvents, while leaving the Pb4S3Cl2 domains intact.…”

Section: Introductionmentioning

confidence: 99%

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Halide Perovskites as Disposable Epitaxial Templates for the Phase-Selective Synthesis of Lead Sulfochloride Nanocrystals

Toso

Imran

Mugnaioli

et al. 2022

Preprint

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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 novel 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.

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Emerging Chalcohalide Materials for Energy Applications

et al. 2022

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Semiconductors with multiple anions currently provide a new materials platform from which improved functionality emerges, posing new challenges and opportunities in material science. This review has endeavored to emphasize the versatility of the emerging family of semiconductors consisting of mixed chalcogen and halogen anions, known as “chalcohalides”. As they are multifunctional, these materials are of general interest to the wider research community, ranging from theoretical/computational scientists to experimental materials scientists. This review provides a comprehensive overview of the development of emerging Bi- and Sb-based as well as a new Cu, Sn, Pb, Ag, and hybrid organic–inorganic perovskite-based chalcohalides. We first highlight the high-throughput computational techniques to design and develop these chalcohalide materials. We then proceed to discuss their optoelectronic properties, band structures, stability, and structural chemistry employing theoretical and experimental underpinning toward high-performance devices. Next, we present an overview of recent advancements in the synthesis and their wide range of applications in energy conversion and storage devices. Finally, we conclude the review by outlining the impediments and important aspects in this field as well as offering perspectives on future research directions to further promote the development of chalcohalide materials in practical applications in the future.

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A high-pressure phase with a non-centrosymmetric crystal structure in the PbSe–PbBr2 system

Cited by 7 publications

References 41 publications

Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

Halide Perovskites as Disposable Epitaxial Templates for the Phase-Selective Synthesis of Lead Sulfochloride Nanocrystals

Emerging Chalcohalide Materials for Energy Applications

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