Adsorption of toxic H2S, CO and NO molecules on pristine and transition metal doped α-AsP monolayer by first-principles calculations
Guoxiang Chen, Xiao‐Na Chen, Doudou Wang, Guo An, Shuai Liu, Jian‐Min Zhang
Topics & Concepts
MonolayerAdsorptionMoleculeWork functionDensity functional theoryTransition metalDopingDopantMaterials scienceSubstrate (aquarium)Binding energyMetalComputational chemistryChemical physicsPhysical chemistryNanotechnologyChemistryCatalysisLayer (electronics)Organic chemistryAtomic physicsPhysicsOptoelectronicsOceanographyMetallurgyGeology2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesGraphene research and applications