The feasibility and analysis of 2D bilayer SiC as an alcohol sensor: a first-principle study

The possibility of using 2D bilayer silicon carbide (SiC) as a sensor for alcohol molecules (ethanol, methanol, and acetone) has been proposed and analyzed. Pristine 2D SiC bilayer is an indirect band gap semiconductor with a band gap of 2.62 eV. After adsorption of ethanol, methanol, and acetone, the material exhibits a transition to a direct band gap with values of 1.72 eV, 2.72 eV, and 1.70 eV, respectively. The modifications observed in the energy band gap, total density of states (TDOS), partial density of states (PDOS), and optical properties indicate that the 2D SiC bilayer is highly sensitive to ethanol and acetone adsorption. These findings suggest strong feasibility of 2D SiC bilayer as an effective alcohol sensor, in good agreement with previously reported theoretical and experimental studies.

The sensing performance of 2D SiC bilayer toward ethanol, methanol, and acetone was investigated through the CASTEP package in Material Studio simulation software. Key parameters including band structure, band gap variation, total density of states (TDOS), partial density of states (PDOS), and optical characteristics were evaluated to determine sensitivity and adsorption effects. The results were compared with previously reported theoretical and experimental data to validate the findings.