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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)

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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 Cs2M^IM^IIICl6 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 M^III 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 M^III combinations and Ag⁺/Na⁺-occupied M^I 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 M^III 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.

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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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