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CO2 sensing properties of WO3 powder: experimental and theoretical studies

Abstract

Tungsten oxide (WO3) powders were obtained in this work by both wet chemical synthesis and homogeneous precipitation with ultrasound-assisted radiation methods. Experimental and theoretical investigations were performed to study the effect of the synthesis method and molarity concentration on the structural, optical, electric, and gas sensing properties of WO3. X-ray powder diffraction and Raman spectroscopy confirmed the presence of the monoclinic γ-phase. Rietveld refinement and size/strain calculations were done to perform a complete powder diffraction data analysis. The bandgap was calculated based on UV–Visible Diffuse Reflectance Spectroscopy data, resulting in 2.55 and 2.58 eV for the prepared samples by wet chemical and homogeneous precipitation methods, respectively. These experimental measurements were explained by first-principles total energy calculations, and the structural and electric properties of WO3 (002) surface were determined. Five atomic models were built with the purpose of determining the most stable structure of this surface with different oxygen terminations. Sensing tests were carried out for all the WO3 samples when interacting with carbon dioxide (CO2) molecules to analyze their performance as gas detecting devices. Parameters such as the sensing response, surface resistance behavior and response/recovery times were investigated in detail. Experimental tests confirmed that the maximum sensing response is obtained at 500 ppm of CO2, when operated at 300 °C. Based on the characterizations and gas sensing results, a CO2 gas sensing mechanism of WO3 was proposed and discussed in this work. Finally, the competitive properties of WO3 as a semiconductor-based gas sensor for CO2 detection were confirmed.

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Data Availability

The data presented in this study are openly available in Lozano-Rosas, Ricardo (2021), “Rietveld Refinement WO3 powders (MAUD),” Mendeley Data, V1, https://doi.org/10.17632/fzsvncymf3.1

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Acknowledgements

M.J.R.A. wishes to thank Vicerrectoría de Investigación y Estudios de Posgrado for the financial support via 100524279-VIEP2019 Project. The authors are grateful to Laboratorio de Difracción de Rayos X of Laboratorio de Cristalografía Aplicada Escuela de Ciencia y Tecnología—Universidad Nacional de San Martin and Laboratorio Central at the Instituto de Física (IFUAP) of the Benemérita Universidad Autónoma de Puebla for the X-ray diffraction and Raman spectroscopy measurements. R.L.R. wishes to thank CONACyT for Scholarship Grant No. 920025

Funding

This work was financially supported by Consejo Nacional de Ciencia y Tecnología (CONACyT)[Grant Agreement No.920025], Vicerrectoría de Investigación y Estudios de Posgrado (VIEP)[Project 100524279-VIEP2019].

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Contributions

All authors contributed to the study conception and design. M.J Robles-Aguila contributed to conceptualization; Lozano-Rosas, R., Robles-Águila, M. J., T.V.K. Karthik contributed to methodology; Lozano-Rosas R., Robles-Águila, M. J., T.V.K. Karthik, Francisco Sánchez-Ochoa, Diego G. Lamas contributed to formal analysis and investigation; Lozano-Rosas, R., Robles-Águila, M. J., T.V.K. Karthik contributed to writing—original draft preparation; Gregorio H. Cocoletzi, T.V.K. Karthik, Robles-Águila, M. J., Francisco Sánchez-Ochoa contributed to writing—review and editing; M.J Robles-Águila contributed to funding acquisition; Gregorio H. Cocoletzi contributed to supervision.

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Correspondence to M. J. Robles-Águila.

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Lozano-Rosas, R., Lamas, D.G., Sánchez-Ochoa, F. et al. CO2 sensing properties of WO3 powder: experimental and theoretical studies. Appl. Phys. A 127, 815 (2021). https://doi.org/10.1007/s00339-021-04960-5

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Keywords

  • Sensors
  • Tungsten oxide
  • Ultrasound radiation
  • Sensing properties
  • CO2 detection