Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study
Hao Meng, Wen Zeng
Topics & Concepts
AdsorptionDensity functional theoryMoleculeChemical physicsDissociation (chemistry)Vacancy defectChemistryComputational chemistryChemical bondPhysical chemistryMaterials scienceCrystallographyOrganic chemistryIndustrial Gas Emission ControlOil, Gas, and Environmental IssuesGas Sensing Nanomaterials and Sensors