P-type metal oxide semiconductors have been developed for solar fuel generating systems, but efforts to improve energy efficiency remain challenging due to the limited understanding and control of defects. Herein, p-type CuBi₂O₄ was chosen as a prototypical model system to investigate the presence and mitigation of inevitable defects, including hydrogen impurities and oxygen vacancies. By a combination of experimental and theoretical analyses, these defects were determined to be shallow donors which reduce p-type conductivity as well as introduce defect levels at the surface, which are correlated with increased recombination. Using thermal treatment in an oxygen atmosphere, both defect types were reduced in concentration, resulting in an improved onset potential of 270 mV, 3.9 times enhanced photocurrent with decreased recombination, and a longer photocarrier lifetime. This work aims to provide a broader understanding of hydrogen impurities and oxygen vacancies in p-type metal oxide semiconductor photoelectrodes to further advance their practical application.

中文翻译：

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了解氧和氢缺陷在调节 P 型金属氧化物半导体的光电特性中的作用

P型金属氧化物半导体已被开发用于太阳能燃料发电系统，但由于对缺陷的理解和控制有限，提高能源效率的努力仍然具有挑战性。在此，p型CuBi ₂ O ₄被选为原型模型系统来研究不可避免的缺陷的存在和减轻，包括氢杂质和氧空位。通过实验和理论分析的结合，这些缺陷被确定为浅施主，其降低了 p 型电导率并在表面引入了缺陷水平，这与增加的复合相关。在氧气气氛中使用热处理，两种缺陷类型的浓度都降低，导致起始电位提高 270 mV，光电流提高 3.9 倍，复合减少，光载流子寿命更长。这项工作旨在更广泛地了解 p 型金属氧化物半导体光电极中的氢杂质和氧空位，以进一步推进其实际应用。