Document Type : Original Article
Authors
1 Faculty of Physics, University of Tabriz
2 Faculty of physics, University of Tabriz
Abstract
The sensing properties of single vacancy defected and Fe atom doped armchair antimonene nanoribbons for NO2, NO, N2, CO2, CO, O2, NH3, and SO2 gases have been systematically studied using the first-principles calculations based on the density functional theory. The nanoribbon is doped with a magnetic Fe element after creating a single vacancy defect, and then the sensing properties of various molecules are examined. The results indicate that gas molecules are physisorbed on pure antimonene nanoribbon with low adsorption energy. However, all the gas molecules (except N2) are chemisorption on Fe-doped upon single vacancy defected antimonene nanoribbons. The Adsorption behaviors of these gases have been analyzed in terms of band structure, the density of states, adsorption energy, magnetic moments, and I-V characteristics. We showed that the introducing single vacancy defects and doping of Fe atom improve the adsorption process. The NO molecule has strong adsorption and creates more stability on both bare and Fe-doped ASbNRs than the other gases, but the adsorption of SO2 leads to the demagnetization of the system. Splitting of up and down spin currents occurs in the CO2, O2, CO, and NH3 cases, which leads to high values of spin filter efficiency. Therefore, these results are helpful in the efficiency of antimonene-based gas sensors with high detection properties.
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