High-Efficiency Intrinsic Yellow-Orange Emission in Hybrid Indium Bromide with Double Octahedral Configuration

Zero-dimensional (0D) In-based organic-inorganic metal halides (OIMHs) have received growing interest in recent years as promising luminescent materials. However, the high efficiencies of 0D In-based OIMHs are all dependent on Sb doping in the existing literature. Here, we report a novel 0D In-based OIMH (C₁₀H₂₂N₂)₂In₂Br₁₀, which exhibits intrinsic broadband emission (610 nm), and the photoluminescence quantum yield (PLQY) can reach 70% without Sb doping. (C₁₀H₂₂N₂)₂In₂Br₁₀ shows a typical 0D structure with three different In-Br polyhedra (two octahedra and one tetrahedron) separated by large organic cations. Based on the optical property measurements and theoretical calculations, we demonstrate that (C₁₀H₂₂N₂)₂In₂Br₁₀ is an indirect semiconductor with a band gap of 3.74 eV, and the In-Br inorganic moiety is primarily responsible for the intense emission of (C₁₀H₂₂N₂)₂In₂Br₁₀. Interestingly, the unique double octahedral configuration in (C₁₀H₂₂N₂)₂In₂Br₁₀ may enhance the structural distortion and stimulate the self-trapped excitons (STEs), leading to the related high PLQY. Our work provides a novel 0D In-based OIMH with high-efficiency intrinsic emission, which is helpful for understanding the structure-PL relationships of hybrid halides.