DFT study of Cu-modified and Cu-embedded WSe2 monolayers for cohesive adsorption of NO2, SO2, CO2, and H2S
Hongyuan Cui, Jing Jiang, Chenshan Gao, Fukang Dai, Jia An, Zhongquan Wen, Yufei Liu
Topics & Concepts
MonolayerAdsorptionDensity functional theoryMoleculeDopingSubstrate (aquarium)ChemistryCopperMaterials scienceChemical engineeringInorganic chemistryPhysical chemistryComputational chemistryNanotechnologyOrganic chemistryEngineeringOptoelectronicsGeologyOceanography2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices