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Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas

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Abstract

To find a new type of sensing material with high sensitivity to acetone gas, in this paper, a first-principles method based on density functional theory was used to study the gas-sensing mechanism of perovskite-type ZnSnO3 to acetone. A hydrothermal method was used to prepare perovskite-type ZnSnO3, and perform a gas sensitivity test. Calculated results demonstrate that acetone molecules interacted strongly with the ZnSnO3(001) surface with pre-adsorbed O2− and O−, accompanied by charge transfer that can change the resistance of the material. This phenomenon provides the basis for using ZnSnO3 as an acetone gas-sensitive sensing material. The experimental results showed that the perovskite-type ZnSnO3 has a sheet structure with micro-holes on the surface, which can promote responsivity to acetone gas. The gas sensitivity test indicated the optimal operating temperature is 350 °C, the response/recovery time is 4 s/27 s. The sensitivities of the synthesized ZnSnO3 nanosheet that in this paper to 100 ppm and 10 ppm acetone gas are 125.444 and 8.37, respectively. In the five-week stability and repeatability test, the sensitivity to 10/100 ppm acetone of sheet-like ZnSnO3 sensor could still maintain at 89.64% and 94.74% of the first test result. This study provides theoretical guidance for the development of acetone gas sensors.

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Acknowledgements

The authors are grateful for the financial support from the National Natural Science Foundation of China (51764039, 52064036), Basic Public Welfare Research Project of Zhejiang Province (LQ19E040006), and State key laboratory of advanced processing and recycling of non-ferrous metals, Lanzhou University of Technology (SKLAB02019013), Lanzhou Talent Innovation and Entrepreneurship Project (2021-RC-36). "Innovation Star" Project for Outstanding Postgraduates in Lanzhou City (2021CXZX-436)

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  1. School of Material Science and Technology, Lanzhou University of Technology, Langongping Road, Lanzhou, 730050, Gansu Province, China

    Lili Jiang, Zhaoyu Chen, Qi Cui, Su Xu & Fuling Tang

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  1. Lili Jiang
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Jiang, L., Chen, Z., Cui, Q. et al. Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas. J Mater Sci 57, 1–21 (2022). https://doi.org/10.1007/s10853-021-06855-5

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