A Combined Molecular Dynamics Simulation, DFT Calculations, and Experimental Study of the Adsorption of Rhodamine B Dye on Kaolinite and Hydroxyapatite in Aqueous Solutions
SURFACES AND INTERFACES（2023）
Key words
Adsorption,Dye uptake,Hydroxyapatite,Kaolinite,Monte Carlo molecular modelling,Quantum chemical
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