Proceedings of nanoGe Fall Meeting19 (NFM19)
DOI: https://doi.org/10.29363/nanoge.nfm.2019.082
Publication date: 18th July 2019
Low-dimensional metal halides are a large family of compounds that consist of 2D, 1D, or 0D anionic metal halide framework coupled with organic or inorganic countercations. Due to the quantum confinement in low-dimensional structures, excitons can be localized with sufficiently large binding energies, enabling luminescence at room temperature. In hybrid organic-inorganic metal halides, both the inorganic metal halide anion and the organic cation can be functionalized to act as luminescent centers. The broad structural and compositional flexibilities of low-dimensional metal halides offer tremendous opportunities to optimize optical properties for light emitting applications. High photoluminescent quantum efficiencies (PLQEs) up to 100% have been reported for a number of 0D metal halides [e.g., (C4N2H14Br)4SnBr6 (95%), [(C6H5)4P]2SbCl5 (100%), Cs3Cu2I5 (83%)]. In this talk, we show first-principles calculations of electronic structure and excitonic properties (including excitation/emission energies, exciton self-trapping, etc.) in low-dimensional metal halides, and discuss the emission mechanism, the material chemistry that affects the PLQE, and the prospect of using these materials as phosphors and scintillators.