Adsorption of Greenhouse Decomposition Products on Ag₂O–SnS₂ and CuO–SnS₂ Surfaces

Abstract

In this paper, based on density functional theory, the adsorption mechanism and gas sensitivity of Ag 2 O/CuO-modified SnS 2 were analyzed. The results were analyzed according to the adsorption energy, total density of states, partial density of states, and frontier molecular orbital theory. The results show that the adsorption of all gas molecules is exothermic. NH 3 , Cl 2 , and C 2 H 2 gases are chemisorbed on the modified SnS 2 surfaces. After gas adsorption, the energy gap of the base changes by more than 10%, which fully shows that the conductivity changes greatly after gas adsorption, which can be reflected in the macroscopic resistance change. Ag 2 O–SnS 2 is suitable as a gas sensor for NH 3 gas sensors in terms of moderate adsorption distance, large adsorption energy, charge transfer, and frontier molecular orbital theory, while CuO–SnS 2 is more suitable as a C 2 H 2 gas sensor.

Adsorption Properties of Ptn (n = 1–3) Cluster-Doped SnS2 and MoTe2 toward Vehicle Emissions: CO, CO2, and NO

“…Two-dimensional nanomaterials with a large specific surface area and high chemical activity are considered as ideal gas-sensitive materials and have received much attention in the field of gas sensing. − Monolayer SnS 2 and MoTe 2 are two typical members of them. Transition metal dichalcogenides (TMDCs) have a wide range of applications in electronic devices.…”