A density functional theory study of the adsorption of Cl2, NH3, and NO2 on Ag3-doped WSe2 monolayers
Hongwan Mi, Qu Zhou, Wen Zeng
Topics & Concepts
MonolayerAdsorptionDensity functional theoryMoleculeChemistryDopingPhysical chemistryComputational chemistryMaterials scienceNanotechnologyOrganic chemistryOptoelectronics2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesGraphene research and applications