The interaction mechanism and collecting performance of three sulfydryl collectors with Au(1 0 0) surface: A study combining DFT and molecular dynamics
Tao Wei, Xiaoqin Tang, Ye Chen, Jianhua Chen, Yao Feng
Topics & Concepts
AdsorptionChemisorptionChemistryMolecular dynamicsDensity functional theoryPolarizabilityWettingAtom (system on chip)HOMO/LUMODelocalized electronPhysical chemistryComputational chemistryMolecular orbitalChemical physicsMaterials scienceMoleculeOrganic chemistryComposite materialComputer scienceEmbedded systemMinerals Flotation and Separation TechniquesCopper-based nanomaterials and applicationsMetal Extraction and Bioleaching