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Low-dimensional metal halides have attracted considerable attention due to their unique optoelectronic properties. In this study, we report a solid-state synthesis of air-stable all-inorganic Pb-free zero-dimensional (0D) Rb3InCl6 single crystals (SCs). By a heterovalent doping of Cu+ ions, the Rb3InCl6:Cu+ SCs featured an efficient blue-violet emission with a greatly enhanced photoluminescence (PL) quantum yield (95%) and an ultralong PL lifetime (13.95 μs). Combined with temperature-dependent PL and density functional theory calculations, we conclude that the efficient electronic isolation, enhanced exciton–phonon coupling, and electronic structure modulation after doping lead to bright blue-violet emission. Furthermore, the SCs exhibited excellent stability, maintaining 90% of the initial PL intensity after being stored in ambient conditions for more than two months. The results provide a new strategy for improving the optoelectronic properties of 0D all-inorganic metal halides, which is promising for potential light-emitting applications.

Zero-dimensional (0D) metal halide clusters formatting in isolated metal halide polyhedral structures show excellent optical properties and have great potential for various applications in optoelectronic devices. In this study, we...

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The structures of hybrid two-dimensional (2D) Ruddlesden-Popper (RP) phase layered halide perovskite (BA)2CsPb2Br7 in the temperature range of 100 to 450 K were constructed and systematically investigated by first-principles calculations....