CO, H<sub>2</sub>S, and NH<sub>3</sub> gas sensing on Mn-doped WSe<sub>2</sub> monolayers: a DFT and machine learning study
N. V. Hoang, Tr. Q. Trieu
Abstract
The charge density difference in the configurations: (a) CO-adsorbed WSe 2 Mn; (b) H 2 S-adsorbed WSe 2 Mn; (c) NH 3 -adsorbed WSe 2 Mn (the yellow region is where the charge is enhanced, the blue region is where the charge is reduced).
Topics & Concepts
MonolayerAdsorptionDopingCharge (physics)Analytical Chemistry (journal)Charge densityChemistryMaterials scienceCrystallographyPhysical chemistryNanotechnologyPhysicsOrganic chemistryOptoelectronicsQuantum mechanics2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesGas Sensing Nanomaterials and Sensors