A molecular level understanding of antimony immobilization mechanism on goethite by the combination of X-ray absorption spectroscopy and density functional theory calculations
Qian Sun, Cun Liu, Tingting Fan, Hu Cheng, Peixin Cui, Xueyuan Gu, Lina Chen, Syed Tahir Ata-Ul-Karim, Dongmei Zhou, Yujun Wang
Topics & Concepts
GoethiteExtended X-ray absorption fine structureDensity functional theoryAntimonySorptionChemistrySpectroscopyDenticityAbsorption (acoustics)CrystallographyCrystal (programming language)Absorption spectroscopyCrystal structureInorganic chemistryPhysical chemistryMaterials scienceComputational chemistryAdsorptionComputer scienceProgramming languageQuantum mechanicsComposite materialPhysicsArsenic contamination and mitigationHeavy metals in environmentIron oxide chemistry and applications