Exploration of the interaction between Fe-doped kaolinite surface and H2O based on DFT simulation and experiment
Xinxia Chu, Jun Chen, Fanfei Min, Yunjia Ling, Huanhuan Shang, Tianyue Wang
Topics & Concepts
KaoliniteAdsorptionDensity functional theoryDopingHydrogen bondMaterials scienceHydrothermal circulationPhysical chemistryChemical engineeringInorganic chemistryChemistryMineralogyComputational chemistryMoleculeOrganic chemistryOptoelectronicsEngineeringClay minerals and soil interactionsIron oxide chemistry and applicationsSoil and Unsaturated Flow