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Mixed Group 14–15 Metalates as Model Compounds for Doped Lead Halide Perovskites
Author(s) -
Dehnhardt Natalie,
Luy JanNiclas,
Klement Philip,
Schipplick Luca,
Chatterjee Sangam,
Tonner Ralf,
Heine Johanna
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202014696
Subject(s) - halide , doping , dopant , iodide , materials science , metal , inorganic chemistry , lead (geology) , band gap , metal halides , chemistry , nanotechnology , chemical physics , optoelectronics , metallurgy , geomorphology , geology
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 Sb 3+ and Bi 3+ cations are still a matter of current investigation. Due to the different charge of the dopants compared to the constituting Pb 2+ 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 PbE 2 I 16 (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 PbI 6 and EI 6 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.