Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface

Abstract Developing hydrogen sensors with high performances is imperative for facilitating H2-related industries. Metal oxide semiconductor (MOS) based gas sensors are simple structures with low cost that are a promising approach for H2 detection. However, detection speed and selectivity of MOS-base...

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Main Authors: Yunxiao Qian, Guorui Zhao, Changming Zhang, Shengjie Yin, Junwei Chen, Yuanyuan Luo, Zhengfeng Huang, Bo Liu, Guotao Duan
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Communications Materials
Online Access:https://doi.org/10.1038/s43246-025-00865-5
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Summary:Abstract Developing hydrogen sensors with high performances is imperative for facilitating H2-related industries. Metal oxide semiconductor (MOS) based gas sensors are simple structures with low cost that are a promising approach for H2 detection. However, detection speed and selectivity of MOS-based sensors currently face great challenges. Herein, we design palladium single atoms (SAs) doped tin oxide (SnO2/Pdatom) for H2 detection. Actual sensing tests show an ultrafast response speed toward H2 (3s to 10 ppm H2), with detection limit of 50 ppb and superior selectivity. Using in-situ THz time-domain spectroscopy and density functional theory calculations, it proves that an extra energy band near Fermi level appeared in SnO2/Pdatom, and Pd SAs doped on SnO2 enhance signally concentration of free carrier in SnO2/Pdatom. Partial density of states reveals that coupling hybridization between Pd 4d orbital and O 2p orbital promotes electron injection from Pd 4d orbital into O π2p orbital, improving production of more O- ions on sensing surfaces. Consequentially, the sensing dynamics involving O- ions spillover at SnO2-Pdatom interface is discussed.
ISSN:2662-4443