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Mixed Group 14–15 Metalates as Model Compounds for Doped Lead Halide Perovskites
Dehnhardt, Natalie
, Luy, Jan‐Niclas, Klement, Philip, Schipplick, Luca, Chatterjee, Sangam
, Tonner, Ralf and Heine, Johanna
(2021)
Mixed Group 14–15 Metalates as Model Compounds for Doped Lead Halide Perovskites.
Angewandte Chemie International Edition 60 (8), pp. 3906-3911.
Date of publication of this fulltext: 29 Feb 2024 12:27
Article
DOI to cite this document: 10.5283/epub.56314
Abstract
Doping and alloying are valuable tools for modifying and enhancing the properties and performance of lead halide perovskites. However, the effects of heterovalent doping with Sb3+ and Bi3+ cations are still a matter of current investigation. Due to the different charge of the dopants compared to the constituting Pb2+ ions, a simultaneous creation of defects is unavoidable and the influence of ...
Doping and alloying are valuable tools for modifying and enhancing the properties and performance of lead halide perovskites. However, the effects of heterovalent doping with Sb3+ and Bi3+ cations are still a matter of current investigation. Due to the different charge of the dopants compared to the constituting Pb2+ ions, a simultaneous creation of defects is unavoidable and the influence of these defects and the actual metal substitution become entangled. Herein, we present the first 14-15 iodido metalates, (BED)(4)PbE2I16 (BED=N-benzylethylenediammonium; E=Sb (1), Bi (2)), which are model compounds for doped lead iodide perovskites and display surprisingly low band gaps of 2.01 (1) and 1.88 eV (2). Quantum chemical investigations show that this stems from a good electronic match between the PbI6 and EI6 units of the compounds. Our results provide a model system for doped perovskites, but also represent the first examples of a promising new class of metal halide materials.
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| Item type | Article | ||||
| Journal or Publication Title | Angewandte Chemie International Edition | ||||
| Publisher: | Wiley | ||||
|---|---|---|---|---|---|
| Place of Publication: | WEINHEIM | ||||
| Volume: | 60 | ||||
| Number of Issue or Book Chapter: | 8 | ||||
| Page Range: | pp. 3906-3911 | ||||
| Date | 2021 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry | ||||
| Identification Number |
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| Keywords | CRYSTAL-STRUCTURES; PERFORMANCE; BI; SUBSTITUTION; CHEMISTRY; MAPBI(3); CATIONS; BANDGAP; IMPACT; antimony; bismuth; iodine; lead; perovskite | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-563144 | ||||
| Item ID | 56314 |
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