All-inorganic ternary group 11 halides have recently gained interest in the optical materials community as viable, relatively non-toxic alternatives for high-intensity luminescence applications. Bulk powder samples and single crystals of A2MX3 (A=Rb, K, NH4; M= Cu, Ag; X= Cl, Br, I) were prepared using facile high temperature solid-state and solution techniques. The all-inorganic group 11 halides have been investigated through an in-depth optical characterization, including diffuse reflectance, photoluminescence, and radioluminescence. A2CuX3 are found to exhibit narrow blue photoluminescence peaks with record-high efficiencies as evidenced by the measured photoluminescent quantum yields up to unity (100 %). Conversely, A2AgX3 displays broad, white emission with tunability in color temperature. Through variation in the A+ cation site, the stability of the material can be dramatically increased, while retaining similar optical performance. For A2CuX3 the bright emission in this family has been attributed to self-trapped excitons localized on [CuX3]2- anionic substructure based on exhaustive photoluminescence studies supported by the density functional theory (DFT) calculations. Our combined experimental and computational study suggests strong potential of A2MX3 as phosphors for radiation detection and solid-state lighting applications.

A2MX3 (A=Rb, K, NH4; M=Cu, Ag; X= Cl, Br, I): High stability, nontoxic group 11 halides with near-unity photoluminescence quantum yield

ACS Spring Meeting 2021

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