Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors,Chemistry of Materials

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Perspectives and Design Principles of Vacancy-Ordered Double Perovskite Halide Semiconductors
Chemistry of Materials ( IF 7.2 ) Pub Date : 2019-01-22 00:00:00 , DOI: 10.1021/acs.chemmater.8b05036
Annalise E. Maughan ₁ , Alex M. Ganose _{2,

3,

4} , David O. Scanlon _{2,

3,

4} , James R. Neilson ₁

Affiliation

Halide perovskite semiconductors such as methylammonium lead iodide (CH₃NH₃PbI₃) have achieved great success in photovoltaic devices; however, concerns surrounding toxicity of lead and material stability have motivated the field to pursue alternative perovskite compositions and structures. Vacancy-ordered double perovskites are a defect-ordered variant of the perovskite structure characterized by an antifluorite arrangement of isolated octahedral units bridged by A-site cations. In this Review, we focus upon the structure–dynamics–property relationships in vacancy-ordered double perovskite semiconductors as they pertain to applications in photovoltaics, and we propose avenues of future study within the context of the broader perovskite halide literature. We describe the compositional and structural motifs that dictate the optical gaps and charge transport behavior and discuss the implications of charge ordering, lattice dynamics, and organic–inorganic coupling upon the properties of these materials. The design principles we elucidate here represent an important step toward extending our understanding of perovskite functionality to defect-ordered perovskites.

中文翻译：

空缺订购双钙钛矿卤化物半导体的观点和设计原理

卤化钙钛矿半导体，例如甲基铵碘化铅（CH ₃ NH ₃ PbI ₃）在光伏器件中取得了巨大的成功。然而，围绕铅毒性和材料稳定性的担忧促使该领域寻求替代的钙钛矿成分和结构。空位有序双钙钛矿是钙钛矿结构的缺陷有序变体，其特征在于由A桥接的孤立八面体单元的抗萤石排列位阳离子。在本综述中，我们关注空位有序双钙钛矿半导体的结构，动力学和性质之间的关系，因为它们与光伏技术有关，并且我们在更广泛的钙钛矿卤化物文献的背景下提出了进一步研究的途径。我们描述了决定光学间隙和电荷传输行为的组成和结构图案，并讨论了电荷有序，晶格动力学以及有机-无机耦合对这些材料性质的影响。我们在这里阐明的设计原则代表了将我们对钙钛矿功能的理解扩展到缺陷排序的钙钛矿的重要一步。

更新日期：2019-01-22

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