Application of siligraphene sheets to detect COVID-19 through volatile organic biomarkers in exhaled breath of humans: A first-principles study

Abstract

The possibility of using siligraphene sheets to detect volatile organic biomarkers in the exhaled breath of humans with COVID-19 is studied. Heptanal, octanal, and nonanal are identified as the prominent biomarkers of COVID-19. Adsorption of these molecules on SiC and SiC7 sheets is examined by density functional theory. The adsorption energies indicate that the considered sheets could be proper materials to use as reusable sensors. SiC and SiC7 exhibit semiconductor properties. The energy bandgap of SiC7 reduces more drastically than that of SiC with heptanal, octanal, and nonanal adsorption. Thus, the electronic properties of SiC7 are sensitive to the adsorption of the considered molecules. It is also shown that physisorption of the water molecule has no considerable effect on the bandgap of SiC7. Thus, SiC7 is a suitable sensor for use in humid conditions like an exhaled breath of humans to diagnose COVID-19.