Center for Nano Science and Technology @PoliMi, Istituto Italiano di Tecnologia, via G. Pascoli 70/3, 20133, Milan, Italy.
Department of Chemistry, Biology and Biotechnology, University of Perugia, Via dell' Elce di Sotto, 8, 06123, Perugia, Italy.
Adv Mater. 2019 Nov;31(47):e1901183. doi: 10.1002/adma.201901183. Epub 2019 Aug 18.
The presence of various types of chemical interactions in metal-halide perovskite semiconductors gives them a characteristic "soft" fluctuating structure, prone to a wide set of defects. Understanding of the nature of defects and their photochemistry is summarized, which leverages the cooperative action of density functional theory investigations and accurate experimental design. This knowledge is used to describe how defect activity determines the macroscopic properties of the material and related devices. Finally, a discussion of the open questions provides a path towards achieving an educated prediction of device operation, necessary to engineer reliable devices.
金属卤化物钙钛矿半导体中存在各种类型的化学相互作用,使它们具有特征的“软”波动结构,容易产生广泛的缺陷。总结了对缺陷及其光化学性质的理解,这利用了密度泛函理论研究和精确实验设计的协同作用。这些知识用于描述缺陷活性如何决定材料和相关器件的宏观性质。最后,对开放性问题的讨论为实现对器件运行的有根据的预测提供了一条途径,这对于设计可靠的器件是必要的。