SO2 adsorption and conversion on pristine and defected calcite {1 0 4} surface: A density functional theory study
Hongping Zhang, Run Zhang, Yuxiang Ni, Meng Chen, Chenghua Sun, Faqin Dong
Topics & Concepts
CalciteAdsorptionDensity functional theoryChemical engineeringMaterials scienceSurface (topology)NanotechnologyChemistryMineralogyPhysical chemistryComputational chemistryMathematicsGeometryEngineeringIndustrial Gas Emission ControlAtmospheric chemistry and aerosolsChemical Looping and Thermochemical Processes