Understanding surface complexation of antimony on Mg(OH)2: Insights from first-principles molecular dynamics
Haonan Ma, Chi Zhang, Long Chen, Mengning Xi, Zhiqiang Wang, Zheng Ni, Kecheng Zhu, Hanzhong Jia
Topics & Concepts
DenticityChemistrySorptionAntimonyBruciteAdsorptionHydroxideMolecular dynamicsLigand (biochemistry)Outer sphere electron transferChelationCoordination sphereHydrogen bondInorganic chemistryCrystallographyPhysical chemistryMoleculeComputational chemistryCrystal structureMagnesiumOrganic chemistryIonReceptorBiochemistryArsenic contamination and mitigationHeavy metals in environmentGeochemistry and Elemental Analysis