Abstract
Density functional theory (DFT) is exploited to measure the performance of the NG layer in detecting H2S, CS2, COS, and SO2. The interaction stability calculations were found to be in the order of SO2 > H2S > COS > CS2. The findings revealed a correlation between the electric dipole moment and adsorption energy. NG can be utilized as a Ф-type and electronic sensor of SO2. CS2 and SO2 were observed to be usable as NG layer in the presence of H2S and COS. Also, it was observed that CS2 could function as an electronic sensor. Nevertheless, it was not found to be capable of functioning as a Ф-type sensor for the detection of H2S and COS. The recovery process of NG is rapid (between 0.8 and 0.11 μs) for the ambient-temperature desorption of CS2 and SO2. As a result, one can utilize NG in high-moisture conditions.
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