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• W4210446502 abstract "In this paper, we report the Fe doped MoS2 monolayer to improve the gas sensing properties. We investigated the electronic properties of Fe doped MoS2 for sensing Urea and Methanol using Density Functional Theory (DFT). Non-Equilibrium Green's Function (NEGF) was used to calculate the transport properties of the aforementioned nanomaterials. The absorption energy, charge transfer, bandstructure, Density of States (DOS), Projected Density of States (PDOS), I-V characteristics, recovery time and sensitivity of urea and methanol gas molecules on Fe doped MoS2 were all investigated. As a result, we observed the tremendous change in the electrical and chemical activity of Fe doped MoS2 for the adsorption of urea and methanol. After the substitution of the Fe atom in the MoS2 monolayer, the magnetic property was observed. In comparison to pristine MoS2 and Fe doped MoS2, the bandgap revealed an improvement in conduction property in adsorbed molecules. The outcome was also confirmed by DOS and PDOS. The Fe doped MoS2 for urea and methanol adsorption, the I-V curve shows a linear increase in current for bias voltage up to 1.9 V, then a quick fall in current after increasing a few volts. The relative resistance state of the Fe doped MoS2 based sensor is better, indicating that it can be used as a sensor. At 2 V, the sensitivity for methanol and urea was 82 % and 77.5 %, respectively. For the methanol configuration, the quicker desorption time was calculated to be 0.00015 µs. Our results demonstrate that Fe doped MoS2 is a promising candidate for a low-cost, stable gas sensor." @default.
• W4210446502 created "2022-02-08" @default.
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• W4210446502 date "2021-12-01" @default.
• W4210446502 modified "2023-10-03" @default.
• W4210446502 title "Computational Study of Adsorption behavior of CH4N2O and CH3OH on Fe decorated MoS2 monolayer" @default.
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• W4210446502 doi "https://doi.org/10.1016/j.ssel.2021.12.002" @default.
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