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R. Balabai and M. Naumenko
Sensory Sensitivity to the Form of β-Ga2O3 Nano-particles
0617–0629 (2022)
PACS numbers: 07.07.Df, 61.46.Bc, 71.15.Dx, 71.15.Mb, 73.20.At, 81.05.Zx, 82.47.Rs
The electronic characteristics of pure β-Ga2O3 nanoparticles with the same number of atoms but of different shapes (spherical or prism-like forms) and with the addition of CO, NH3, O3 molecules near the Ga atom or the O atom are investigated by means of the methods of the theories of electron density functional and pseudopotential from the first principles with application of the own program code. As found, the nanoparticles of both forms can serve as effective resistive detectors of CO and NH3 molecules. A brighter reaction to the CO molecule is recorded in a spherical particle, and a brighter reaction to the NH3 molecule is recorded in a prism-like particle. In this case, the sensitive place of the nanoparticles is located near the Ga atoms, whereas only the spherical nanoparticles effectively respond to O3 molecules by increasing their conducting properties. In this case, the sensitive place of the nanoparticles is located near the O atoms.
Key words: β-Ga2O3 nanoparticles of spherical or prism-like forms, molecules of gases, resistive detectors, electronic characteristics, ab initio calculations.
https://doi.org/10.15407/nnn.20.03.617
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