Understanding the in-situ transformation of CuxO interlayers to increase the water splitting efficiency in NiO/n-Si photoanodes

Chao Feng, Zhi Liu, Huanxin Ju, Andraž Mavrič, Matjaz Valant, Jie Fu, Beibei Zhang and Yanbo Li ()
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Chao Feng: University of Electronic Science and Technology of China
Zhi Liu: University of Electronic Science and Technology of China
Huanxin Ju: Core Tech Integrated Limited
Andraž Mavrič: University of Nova Gorica
Matjaz Valant: University of Nova Gorica
Jie Fu: University of Electronic Science and Technology of China
Beibei Zhang: University of Electronic Science and Technology of China
Yanbo Li: University of Electronic Science and Technology of China

Nature Communications, 2024, vol. 15, issue 1, 1-11

Abstract: Abstract The buried interface tens of nanometers beneath the solid-liquid junction is crucial for photocarrier extraction, influencing the overall efficiency of photoelectrochemical devices. Precise characterization of the interfacial properties is essential for device optimization but remains challenging. Here, we directly probe the in situ transformation of a CuxO interlayer at the NiO/n-Si interface by hard X-ray photoelectron spectroscopy. It is found that Cu(I) in the CuxO interlayer gradually transforms to Cu(II) with air exposure, forming an energetically more favorable interface and improving photoanode’s efficiency. Based on this finding, a reactive e-beam evaporation process is developed for the direct deposition of a CuO interlayer, achieving a half-cell solar-to-hydrogen efficiency of 4.56% for the optimized NiO/CuO/n-Si heterojunction photoanode. Our results highlight the importance of precision characterization of interfacial properties with advanced hard X-ray photoelectron spectroscopy in guiding the design of efficient solar water-splitting devices.

Date: 2024
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DOI: 10.1038/s41467-024-50893-x

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