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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author Yunxiao Qian
Guorui Zhao
Changming Zhang
Shengjie Yin
Junwei Chen
Yuanyuan Luo
Zhengfeng Huang
Bo Liu
Guotao Duan
author_facet Yunxiao Qian
Guorui Zhao
Changming Zhang
Shengjie Yin
Junwei Chen
Yuanyuan Luo
Zhengfeng Huang
Bo Liu
Guotao Duan
author_sort Yunxiao Qian
collection DOAJ
description 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.
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institution Kabale University
issn 2662-4443
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spelling doaj-art-da051da8336a4094a12dccb891a7cc662025-08-20T03:45:31ZengNature PortfolioCommunications Materials2662-44432025-07-016111210.1038/s43246-025-00865-5Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interfaceYunxiao Qian0Guorui Zhao1Changming Zhang2Shengjie Yin3Junwei Chen4Yuanyuan Luo5Zhengfeng Huang6Bo Liu7Guotao Duan8School of Microelectronics, Hefei University of TechnologySchool of Microelectronics, Hefei University of TechnologySchool of Integrated Circuits, Huazhong University of Science and TechnologySchool of Microelectronics, Hefei University of TechnologySchool of Microelectronics, Hefei University of TechnologyKey Lab of Materials Physics, Anhui Key Lab of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Chinese Academy of ScienceSchool of Microelectronics, Hefei University of TechnologySchool of Microelectronics, Hefei University of TechnologySchool of Integrated Circuits, Huazhong University of Science and TechnologyAbstract 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.https://doi.org/10.1038/s43246-025-00865-5
spellingShingle Yunxiao Qian
Guorui Zhao
Changming Zhang
Shengjie Yin
Junwei Chen
Yuanyuan Luo
Zhengfeng Huang
Bo Liu
Guotao Duan
Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
Communications Materials
title Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
title_full Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
title_fullStr Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
title_full_unstemmed Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
title_short Hydrogen sensing with high-performance via O- ion spillover at Pd single atoms stabilized SnO2 interface
title_sort hydrogen sensing with high performance via o ion spillover at pd single atoms stabilized sno2 interface
url https://doi.org/10.1038/s43246-025-00865-5
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