Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25)
DOI: https://doi.org/10.29363/nanoge.matsusspring.2025.376
Publication date: 16th December 2024
Luminescent zero-dimensional (0D) antimony halide (Sb–X) hybrids showcase emissive properties (emission peak position; photoluminescence quantum yield (PLQY)) that are heavily influenced by the local metal halide geometry/site asymmetry. However, achieving control over this local geometry has proven synthetically challenging due to the variety of coordination geometries that the Sb–X units can adopt. As a result, establishing a clear structure–luminescence relationship in 0D Sb–X hybrids has been difficult. This study is an attempt to draw a structure–luminescence relationship by controlling the Sb–X geometry utilizing 2D cadmium halide hybrids as the host that serves as a framework for incorporating emissive Sb3+ dopants. By selecting different organic cations, the local metal halide geometry/distortion within the host hybrids can be tuned, which in turn modulates the luminescent properties of the Sb3+ dopants. A distinct structure–luminescence relationship is observed: as the local metal halide distortion increases, the emission peaks shift to longer wavelengths (red-shift), and the PLQY improves. DFT calculations of the doped compounds, which explore the structural and electronic properties in both the ground and excited states, help clarify the luminescence mechanism and the reasons for varying luminescence efficiency (PLQY). This study provides deeper insight into the luminescence mechanisms, emphasizing the significance of structural distortions in both the ground and excited states of Sb3+-doped 2D cadmium halide hybrids. The experimental and computational findings are valuable for developing a clearer structure–luminescence relationship and for guiding the rational synthesis of 0D Sb halide hybrids.
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