Insights into the mechanisms of H2S adsorption and dissociation on CdS surfaces by DFT-D3 calculations
Yuting Li, Daniel Bahamón, Mutasem Omar Sinnokrot, Lourdes F. Vega
Topics & Concepts
Density functional theoryDissociation (chemistry)CatalysisAdsorptionVacancy defectChemistryChemical physicsHydrogenElectronic structureHybrid functionalPhysical chemistryComputational chemistryMaterials scienceCrystallographyOrganic chemistryBiochemistryAdvanced Photocatalysis TechniquesIndustrial Gas Emission ControlHybrid Renewable Energy Systems