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Progress in Theoretical Study of Metal Halide Perovskite Solar Cell Materials

机译：金属卤化物钙钛矿太阳能电池材料理论研究进展

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Lead halide perovskites have recently emerged as promising absorbers for fabricating low-cost and high-efficiency thin-film solar cells. The record power conversion efficiency of lead halide perovskite-based solar cells has rapidly increased from 3.8% in 2009 to 22.1% in early 2016. Such rapid improvement is attributed to the superior and unique photovoltaic properties of lead halide perovskites, such as the extremely high optical absorption coefficients and super-long photogenerated carrier lifetimes and diffusion lengths that are not seen in any other polycrystalline thin-film solar cell materials. In the past a few years, theoretical approaches have been extensively applied to understand the fundamental mechanisms responsible for the superior photovoltaic properties of lead halide perovskites and have gained significant insights. This review article highlights the important theoretical results reported in literature for the understanding of the unique structural, electronic, optical, and defect properties of lead halide perovskite materials. For comparison, we also review the theoretical results reported in literature for some lead-free perovskites, double perovskites, and nonperovskites.
机译：卤化钙钛矿最近已经成为制造低成本和高效率薄膜太阳能电池的有希望的吸收剂。卤化钙钛矿基太阳能电池的创纪录功率转换效率已从2009年的3.8％迅速提高到2016年初的22.1％。这种快速的提高归因于卤化钙钛矿的优越和独特的光伏性能，例如极高的光学吸收系数，超长的光生载流子寿命和扩散长度，这在任何其他多晶薄膜太阳能电池材料中都看不到。在过去的几年中，理论方法已被广泛应用，以理解导致卤化钙钛矿具有优异光伏性能的基本机理，并获得了重要的见识。这篇综述文章重点介绍了文献报道的重要理论结果，以了解卤化钙钛矿材料的独特结构，电子，光学和缺陷特性。为了进行比较，我们还回顾了文献中报道的一些无铅钙钛矿，双钙钛矿和非钙钛矿的理论结果。

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