2019
DOI: 10.26434/chemrxiv.9770870.v1
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Aurivillius Halide Perovskite: A New Family of Two-Dimensional Materials for Optoelectronic Applications

Abstract: Layered perovskites have attracted considerable attention in optoelectronic applications due to their excellent electronic properties and stability. In this work, the quasi-2D aurivillius halide perovskites are investigated using density functional theory. The single-layer aurivillius perovskite Ba2PbI6 is predicted to have a direct bandgap of 1.89 eV, which is close to that of the Ruddlesden–Popper perovskite Cs2PbI4. The electronic structures near the Fermi level are mainly governed by the [PbX6] octahedra, … Show more

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