A New Perspective and Design Principle for Halide Perovskites: Ionic Octahedron Network (ION).

Nano Letters
Jianbo JinPeidong Yang

Abstract

The metal halide ionic octahedron, [MX6] (M = metal cation, X = halide anion), is considered to be the fundamental building block and functional unit of metal halide perovskites. By representing the metal halide ionic octahedron in halide perovskites as a super ion/atom, the halide perovskite can be described as an extended ionic octahedron network (ION) charge balanced by selected cations. This new perspective of halide perovskites based on ION enables the prediction of different packing and connectivity of the metal halide octahedra based on different solid-state lattices. In this work, a new halide perovskite Cs8Au3.5In1.5Cl23 was discovered on the basis of a BaTiO3-lattice ION {[InCl6][AuCl5][Au/InCl4]3}8-, which is assembled from three different ionic octahedra [InCl6], [AuCl6], and [Au/InCl6] and balanced by positively charged Cs cations. The success of this ION design concept in the discovery of Cs8Au3.5In1.5Cl23 opens up a new venue for the rational design of new halide perovskite materials.

References

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Nov 7, 2019·Proceedings of the National Academy of Sciences of the United States of America·Jia LinPeidong Yang
Apr 30, 2020·Nano Letters·Jianmei HuangPeidong Yang

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Citations

Oct 7, 2021·Nano Letters·Maria C FolguerasPeidong Yang

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