Unrevealing the impact of edge states in MoS2 thin film to NO2 excellent selectivity

The edge state of TMDCs produces a new electronic state due to the unsaturated coordination of atoms, and this electronic state has the characteristics of charge locality, which affects its electronic structure and electrical properties. The multilayer edge state is usually located in the band gap of the energy band, which determines the catalytic and gas adsorption properties of the material. In particular, the mechanism of MoS2's unique selective adsorption of NO2 is unclear. The paper synthesized multilayer MoS2 using a CVD method and investigated the selective adsorption of NO2 via the CGS-MT optical and electrical integrated test platform. Simultaneously, DFT calculations were employed to study the electronic properties of edge states and NO2 adsorption. This research provides significant value and novel insights into the edge states of TMDCs, particularly in the areas of energy, optoelectronics, catalysis, and gas sensing.