Atomic-level insights into the modification mechanism of Fe (III) ion on smithsonite (1 0 1) surface from DFT calculation
Yuanjia Luo, Leming Ou, Jianhua Chen, Guofan Zhang, Yuqin Xia, Bohan Zhu, Hanyu Zhou
Topics & Concepts
AdsorptionChemistryMulliken population analysisMolecular orbitalIonDensity functional theorySurface modificationHydrogen bondAtom (system on chip)Inorganic chemistryAtomic orbitalHydrogen atomPhysical chemistryComputational chemistryMoleculeElectronOrganic chemistryAlkylComputer sciencePhysicsQuantum mechanicsEmbedded systemMinerals Flotation and Separation TechniquesMetal Extraction and BioleachingMine drainage and remediation techniques