Molecular dynamic (MD) simulation and density function theory (DFT) calculation relevant to green leaching of metals from spent lithium-ion battery cathode materials using glucose-based deep eutectic solvent (DES)
Bahram Behnajady, Jaber Yousefi Seyf, Saeid Karimi, Mohammad Hossein Moradi, Mahmoud Reza Sohrabi
Topics & Concepts
ChemistryLeaching (pedology)Eutectic systemDensity functional theoryCathodeIonInorganic chemistryLithium (medication)SolventBattery (electricity)Computational chemistryPhysical chemistryThermodynamicsOrganic chemistryAlloySoil sciencePhysicsMedicinePower (physics)Environmental scienceSoil waterEndocrinologyExtraction and Separation ProcessesRecycling and Waste Management TechniquesAdvancements in Battery Materials