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Zn-doped SnO2 nanoparticles for ethanol vapor sensor: a combined experimental and first-principles study

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Abstract

Zn-doped SnO2 nanoparticles were synthesized by hydrothermal method, the morphological features were revealed by SEM and TEM, the chemical component and valence state were investigated by XRD and XPS. The gas-sensitive performance of Zn-doped SnO2 nanoparticles was tested, and the results showed that the doping of Zn elements could improve the gas-sensitive performance of the sensor, especially the 4wt% Zn-doped SnO2 exhibited higher sensitivity, lower operating temperature, and greater stability. The adsorption energy, energy band structure and density of states of ethanol molecules on pristine SnO2 and Zn-doped SnO2 crystal face were calculated through density functional theory (DFT) to explore the possibility that the improved sensing performance of Zn-doped SnO2 nanoparticles could be attributed to the generation of Schottky junctions and the reduction of adsorption energy.

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

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Acknowledgements

This work is supported by National Natural Science Foundation of China (62173213), Natural Science Foundation of Shandong Province (ZR2019MF069), Yantai Key R&D Program (2020LJRC119), PhD Start-up Fund of Shandong Technology and Business University (BS201810, BS201811) for financial support.

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  1. School of Information and Electronic Engineering, Shandong Technology and Business University, Yantai, 264005, China

    Meihua Li, Chao Mou, Yunfan Zhang, Xiao Li & Guangfen Wei

  2. School of Artificial Intelligence, Dalian University of Technology, Dalian, 116024, China

    Huichao Zhu

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  1. Meihua Li
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Contributions

ML: conceptualization, investigation, formal analysis, visualization, writing-review & editing. CM: investigation, formal analysis, experimental validation, data analysis, writing-original draft. YZ: conceptualization, investigation, experimental validation, writing – review & editing. XL: experimental validation. HZ: software. Guangfen W: project administration, supervision, funding acquisition, resources.

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Li, M., Mou, C., Zhang, Y. et al. Zn-doped SnO2 nanoparticles for ethanol vapor sensor: a combined experimental and first-principles study. J Mater Sci: Mater Electron 34, 1059 (2023). https://doi.org/10.1007/s10854-023-10502-x

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