Scandium doping of black phosphorene for enhanced sensitivity to hydrogen sulfide: Periodic DFT calculations
Azam Marjani, Mohammad Ghashghaee, Mehdi Ghambarian, Mahdi Ghadiri
Topics & Concepts
PhosphoreneDensity functional theoryDopingMoleculeHydrogen sulfideHydrogenChemistryAtomic orbitalScandiumMaterials scienceAdsorptionHydrogen storageChemical physicsPhysical chemistryInorganic chemistryComputational chemistryNanotechnologyOptoelectronicsPhysicsOrganic chemistryMonolayerSulfurElectronQuantum mechanics2D Materials and ApplicationsMXene and MAX Phase MaterialsPerovskite Materials and Applications