Chalcopyrites could fill the gap between the low-cost, poor-efficiency single junction metal oxide photoelectrochemical (PEC) water splitting cells and the high efficiency, yet costly III–V tandems. In this Perspective, we first review the key barriers that must be addressed by the community to enable economical chalcopyrite-based PEC water splitting. Then, we highlight how theoretical modeling can be used to identify promising ordered vacancy compound absorbers with improved energetics compared to their chalcopyrite parents. Finally, we describe how advanced spectroscopic analysis performed on chalcopyrite photocathodes after PEC testing uncovered a new passivation layer candidate for prolonged durability.

中文翻译：

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用于光电化学水分解的有序空位化合物和母体黄铜矿薄膜吸收剂的研究

黄铜矿可以填补低成本、低效率的单结金属氧化物光电化学 (PEC) 水分解电池与高效但昂贵的 III-V 串联电池之间的空白。在这个观点中，我们首先回顾了社区必须解决的关键障碍，以实现经济的基于黄铜矿的 PEC 水分解。然后，我们强调如何使用理论模型来识别与黄铜矿母体相比具有改进能量学的有前途的有序空位复合吸收体。最后，我们描述了在 PEC 测试发现一种新的可延长耐久性的钝化层候选物后，如何对黄铜矿光电阴极进行先进的光谱分析。