Six metal cations in one double perovskite: exploring complexity of chloride elpasolites by high-throughput experimentation
Stroyuk O, Raievska O, Daum M, Hauch J, Brabec C (2024)
Publication Language: English
Publication Type: Journal article
Publication year: 2024
Journal
Book Volume: 12
Pages Range: 8705-8718
Journal Issue: 24
DOI: 10.1039/d4tc01693a
Abstract
A high-throughput screening of lead-free double chloride perovskites Cs2MIMIIICl6 is performed combining combinatorial robot-assisted synthesis with accelerated structural and spectral characterizations. The screening encompasses about 350 elpasolite compounds with broad variations of the MIII site, including combinations of two (Bi + In, Bi + Sb, and In + Sb) and three cations (In + Bi + Sb and Fe + Bi + In). The robot-assisted open-environment synthesis protocol allows the double perovskites with these MIII combinations and Ag+/Na+-occupied MI site to be produced using a general routine in the form of single-phase microcrystalline solid solutions with reliably controlled composition. The high-throughput screening revealed a series of non-additive effects arising from the combination of multiple cations on the MIII site, including a “volcano”-shaped dependence of the photoluminescence quantum yield of Cs2(Ag,Na)(Bi,In)Cl6 elpasolites on Ag/Na and Bi/In ratio and band-bowing effects in the compositional dependences of the bandgaps of perovskites with Bi + Sb, In + Bi + Sb, and Fe + Bi + In combinations. In the latter case, the accelerated screening resulted in the double chloride perovskites with an unusually low indirect bandgap of 1.64 eV.
Authors with CRIS profile
Manuel Daum
Institute Materials for Electronics and Energy Technology (i-MEET)
Jens Hauch
Institute Materials for Electronics and Energy Technology (i-MEET)
Christoph Brabec
Institute Materials for Electronics and Energy Technology (i-MEET)
Additional Organisation(s)
Involved external institutions
Germany (DE)How to cite
APA:
Stroyuk, O., Raievska, O., Daum, M., Hauch, J., & Brabec, C. (2024). Six metal cations in one double perovskite: exploring complexity of chloride elpasolites by high-throughput experimentation. Journal of Materials Chemistry C, 12(24), 8705-8718. https://doi.org/10.1039/d4tc01693a
MLA:
Stroyuk, Oleksandr, et al. "Six metal cations in one double perovskite: exploring complexity of chloride elpasolites by high-throughput experimentation." Journal of Materials Chemistry C 12.24 (2024): 8705-8718.
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