Adsorption of CO and H<sub>2</sub>S on pristine and metal (Ni, Pd, Pt, Cu, Ag, and Au)-mediated SnS monolayers: a first-principles study
Long Lin, Chencheng Hu, Chao Deng, Yonghao Xu, Hualong Tao, Zehua Chen, Zhanying Zhang
Abstract
S molecule. Furthermore, the effects of electric field and biaxial strain on the sensing properties of gas molecules on Ni-SnS monolayers are also investigated. Finally, the desorption time of gas molecules from the TM-SnS monolayer is estimated. This will provide experimenters with theoretical guidance for the application of SnS-based sensing materials, and our work is of great significance for predicting new monochalcogenide sensing materials.
Topics & Concepts
MonolayerAdsorptionWork functionMoleculeDesorptionMetalDensity functional theoryChemical physicsMaterials scienceTransition metalChemistryNanotechnologyPhysical chemistryCatalysisComputational chemistryOrganic chemistryMetallurgy2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials