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Carbon oxide gas sensing potential of BaTiO3 nanostructure

Because carbon dioxide gases are abundant in both our environment and industry, there is a constant hunt for inexpensive and effective gas sensors. We propose detecting optical signals from ultrathin BaTiO3 nanostructures as the basis for carbon oxide sensing. We simulate the sensitivity of electrical and optical properties of ultrathin BaTiO3 nanostructures to distinct adsorption sites on the (001)-BaTiO3 surface using density functional theory. Significant changes in optical activity have been recorded, including absorption, reflection, and EELS spectra. The optical signals follow a monotonous trend with respect to molecule concentration, according to a super cell size investigation. Charge transfer between the (001)- BaTiO3 surface and the adsorbed gas molecules explains the variations. Our comprehension of the sensing mechanism increases as we gain a better understanding of the physical and chemical basis of the events at the nanoscale. Simultaneously, the findings may pave the way for new sensor designs.

sensors, gas, nanostructures, DFT

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