Adsorption of hydrated Al3+ on the kaolinite (001) surface: A density functional theory study
Yuqi Miao, Huashan Yan, Xianhui Qiu, Xiaowen Zhou, Dongmei Zhu, Xiaobo Li, Tingsheng Qiu
Topics & Concepts
AdsorptionKaoliniteDensity functional theoryChemistryDenticityDeprotonationMulliken population analysisHydrateIonic bondingInorganic chemistryHydrogen bondCrystallographyPhysical chemistryComputational chemistryMoleculeIonCrystal structureOrganic chemistryMineralogyClay minerals and soil interactionsIron oxide chemistry and applicationsSoil and Unsaturated Flow