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Molecular adsorption behavior of O2 molecules on Ni2+ doped TiO2 (001) crystal plane

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Abstract

The adsorption of Ni2+ doped TiO2 (001) crystal plane for different gas molecules is studied by combining theory with experiment. The results show that O2 molecules are adsorbed on crystal plane in the form of chemical bond. XPS results prove that the doping of Ni2+ increases the chemisorbed oxygen ability of crystal plane. The adsorption of O2 molecules leads to the increase of the crystal plane conductivity, which is confirmed by the simulation results of the increase of Fermi level DOS and the electrochemical impedance spectroscopy (EIS) experiment. H2O and N2 molecules are adsorbed by crystal plane in the form of hydrogen bond and physical adsorption, respectively, and their contributions to the crystal plane conductivity increase and decrease respectively, which is also confirmed by EIS under different atmospheres. Interestingly, small-angle XRD proves that the sample exists interlayer clearance, and the adsorption of gas molecules in the crystal surface gap further improves the storage capacity of TiO2 materials for gas molecules. The results of this study are of great significance for improving the oxygen carrying capacity and catalytic gas sensitive performance of TiO2 materials.

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The data that support the findings of this study are available from the corresponding author upon reasonable request.

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Acknowledgements

This work was supported by “the Fundamental Research Funds for the Central Universities”. Part of the test was supported by the "Instrument Equipment Sharing Platform of the College of Physics of Jilin University"

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Authors and Affiliations

  1. Key Laboratory of Physics and Technology for Advanced Batteries, College of Physics, Jilin University, Changchun, 130012, People’s Republic of China

    Jiarui Fang, Ziheng Li, Xiruo Bai, Dan Wang, Yixuan Qie & Run Liu

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  1. Jiarui Fang
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Contributions

Jiarui Fang: Conceptualization, Methodology, Software, Investigation, Data curation, Supervision, Writing-Original draft preparation. Ziheng Li*: Supervision, Software. Xiruo Bai, Run Liu: Visualization, Validation, Writing-Reviewing and Resources.Dan Wang, Yixuan Qie: Validation, Writing-Reviewing and Editing.

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Fang, J., Li, Z., Bai, X. et al. Molecular adsorption behavior of O2 molecules on Ni2+ doped TiO2 (001) crystal plane. J Mater Sci: Mater Electron 35, 981 (2024). https://doi.org/10.1007/s10854-024-12723-0

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