First principles study of gas molecules adsorption on monolayered β-SnSe

For the purpose of exploring the application of two-dimensional (2D) material in the field of gas sensors, the adsorption properties of gas molecules, CO, CO₂, CH₂O, O₂, NO₂, and SO2 on the surface of monolayered tin selenium in β phase (β-SnSe) has been researched by first principles calculation...

First-principles investigation of the adsorption behaviors of CH ₂ O on BN, AlN, GaN, InN, BP, and P monolayers

CH ₂ O is a common toxic gas molecule that can cause asthma and dermatitis in humans. In this study the adsorption behaviors of the CH ₂ O adsorbed on the boron nitride (BN), aluminum nitride (AlN), gallium nitride (GaN), indium nitride (InN), boron phosphide (BP), and phosphorus (P) monolayers were investigated using...