The transformation between black (corner sharing) and yellow (face sharing) polytypes of lead halide perovskites is a major performance bottleneck. We investigate phase intermixing through the simulation of stacking faults (nanodomains) that reveal a small thermodynamic cost but large electronic consequences in CsPbI₃.

中文翻译：

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六角堆积断层作为钙钛矿卤化物中的空穴阻挡层

卤化钙钛矿的黑色（角共享）和黄色（面共享）多型之间的转换是主要的性能瓶颈。我们通过堆垛层错（纳米域）的仿真研究相混合，揭示了一个小的热力学成本，但是在CsPbI ₃中具有很大的电子影响。