Sensitivity and selectivity analysis of toxic gases NO2, SO2, O3, Cl2, (CH3)2NH, CH3NH2, NH3, HCl, CH2CHCl and ClO2 on GO sheet platform for environmental sustainability: A DFT Prediction

Unravelling the sensing efficacy of graphene oxide towards hazardous volatile organic compounds in the polyurethane industry

“…, (CH 3 ) 2 NH, CH 3 NH 2 , NH 3 , HCl, and CH 2 CHCl). 28 Tabari et al investigated the adsorption of H 2 O, CO, and C 2 H 4 molecules on GO by introducing yttrium as a dopant. The findings revealed a significant enhancement in the adsorption energies of these molecules.…”

“…27 Among recent reports, Singh et al investigated the gas sensing properties of various toxic gases including O 3 , NO 2 , ClO 2 , and SO 2 thereby reporting the better detection of oxides with GO substrate when compared to gas molecules containing methyl groups followed by chlorides (i.e., (CH 3 ) 2 NH, CH 3 NH 2 , NH 3 , HCl, and CH 2 CHCl). 28 Tabari et al investigated the adsorption of H 2 O, CO, and C 2 H 4 molecules on GO by introducing yttrium as a dopant. The findings revealed a significant enhancement in the adsorption energies of these molecules.…”

Density Functional Theory Investigation of Pristine and Ni-Doped CeO2 (110) for C2H4 Detection Based on Optimized Work Functions

“…Nowadays, with the rapid development of global industrialization, the emission of toxic gases such as NH 3 , CH 4 , SO 2 , H 2 S, CO, and C 2 H 4 in the atmosphere poses a serious threat to the ecological environment. − Sulfur dioxide (SO 2 ) is an acidic gas released into the atmosphere by fossil fuels and poses a serious threat to human health . Ammonia (NH 3 ) is an important chemical raw material, which is widely used in industrial production, such as chemical, natural waste, agricultural waste, industrial waste, and incomplete combustion .…”