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Ab initio calculation of the adsorption of As, Cd, Cr, and Hg heavy metal atoms onto the illite(001) surface: Implications for soil pollution and reclamation

Chongchong Qi, Xinhang Xu, Qiusong Chen, Hui Liu, Xiaobo Min, Andy Fourie, Liyuan Chai

2022Environmental Pollution33 citationsDOIOpen Access PDF

Topics & Concepts

AdsorptionIlliteChemistryChemisorptionPhysisorptionMetalAb initioDensity functional theoryAtom (system on chip)Valence electronBinding energyAnalytical Chemistry (journal)Inorganic chemistryPhysical chemistryElectronComputational chemistryAtomic physicsClay mineralsMineralogyComputer scienceOrganic chemistryChromatographyQuantum mechanicsPhysicsEmbedded systemHeavy metals in environmentClay minerals and soil interactionsIron oxide chemistry and applications
Ab initio calculation of the adsorption of As, Cd, Cr, and Hg heavy metal atoms onto the illite(001) surface: Implications for soil pollution and reclamation | Litcius