Abstract
As an emerging class of light-responsive semiconductors, hybrid perovskites seamlessly marry the characteristics of organic and inorganic materials, offering a new fertile playground to explore light-matter interaction and advance optoelectronic technologies. In comparison to three-dimensional perovskites, low-dimensional counterparts have been less investigated, but they offer a vast chemical and functional space to navigate. Here, I will discuss our recent effort to use high-throughput calculations to generate large datasets containing structural and property information for 2D hybrid perovskite materials, which is further used to train and validate machine learning models to establish accurate structure-property relationships. The result helps shed light on the impact of various conjugated organic spacers on the electronic structures of 2D Dion-Jacobson perovskites. In addition, I will talk about the exceptional physical properties of a series of zero-dimensional copper-halide perovskites demonstrating efficient self-trapped exciton and single-mode lasing.
Published Version
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