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Dehnhardt, Natalie ; Luy, Jan‐Niclas ; Klement, Philip ; Schipplick, Luca ; Chatterjee, Sangam ; Tonner, Ralf ; Heine, Johanna

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 und Heine, Johanna (2021) Mixed Group 14–15 Metalates as Model Compounds for Doped Lead Halide Perovskites. Angewandte Chemie International Edition 60 (8), S. 3906-3911.

Veröffentlichungsdatum dieses Volltextes: 29 Feb 2024 12:27
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.56314


Zusammenfassung

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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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftAngewandte Chemie International Edition
Verlag:Wiley
Ort der Veröffentlichung:WEINHEIM
Band:60
Nummer des Zeitschriftenheftes oder des Kapitels:8
Seitenbereich:S. 3906-3911
Datum2021
InstitutionenChemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Arbeitskreis Theoretische Chemie (Theoretical Chemistry)
Identifikationsnummer
WertTyp
10.1002/anie.202014696DOI
Stichwörter / KeywordsCRYSTAL-STRUCTURES; PERFORMANCE; BI; SUBSTITUTION; CHEMISTRY; MAPBI(3); CATIONS; BANDGAP; IMPACT; antimony; bismuth; iodine; lead; perovskite
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-563144
Dokumenten-ID56314

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