Abstract

Lead-free double perovskites offer non-toxic properties and strong emission via alloying and doping. Herein, we report the synthesis of Bi-doped pure Rb2HfCl6 and Cs-alloyed RbCsHfCl6 microcrystals. The pure Rb2HfCl6 microcrystals are nearly non-emissive while alloying with Cs and Bi doping lead to strong deep blue emission at 466 nm with an increase in photoluminescence quantum yield from ∼0 to 66%. Density functional theory studies attest to the improved phase stability due to Cs-alloying and link photoluminescence to Bi3+ dopant-induced localized states.

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