Theoretical Treatment of CH3NH3PbI3 Perovskite Solar Cells
Theoretical Treatment of CH3NH3PbI3 Perovskite Solar Cells
复制标题
CH3NH3PbI3钙钛矿太阳能电池的理论处理
DOI：
10.1002/anie.201702660
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
Hagfeldt Anders
中科院分区：
文献类型：
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作者：
Yun Sining;Zhou Xiao;Even Jacky;Hagfeldt Anders
混合卤化物钙钛矿太阳能电池（PSC）提供超过22%的功率转换效率（PCE）已经引起相当大的关注。虽然钙钛矿在PSC的运行中起着重要的作用，但尽管研究增加，但与钙钛矿相关的基础理论尚未得到解决。在这篇小综述中，我们评估了目前的理解，基于第一原理计算，CH 3 NH3 PbI 3钙钛矿的结构和电子特性，缺陷，离子扩散和漂移电流，以及离子传输对PSC中电流-电压曲线滞后的影响。还讨论了可能存在的铁电性连接的移位电流。还强调了有关PSC的当前最新技术水平和一些悬而未决的问题，并强调了钙钛矿用于PSC的好处，挑战和潜力。
Hybrid halide perovskite solar cells (PSCs) giving over 22 % power conversion efficiencies (PCEs) have attracted considerable attention. Although perovskite plays a significant role in the operation of PSCs, the fundamental theories associated with perovskites have not been resolved in spite of the increase in research. In this Minireview, we assess the current understanding, based on the first‐principles calculations, of structural and electronic properties, defects, ionic diffusion, and shift current for CH3NH3PbI3perovskite, and the effect of ionic transport on the hysteresis of current–voltage curves in PSCs. The shift current connected to the possible presence of ferroelectricity is also discussed. The current state‐of‐the‐art and some open questions regarding PSCs are also highlighted, and the benefits, challenges, and potentials of perovskite for use in PSCs are stressed.