Adsorption of methylene blue cationic dye onto brookite and rutile phases of titanium dioxide: Quantum chemical and molecular dynamic simulation studies
Malika Khnifira, S. El Hamidi, A. Mahsoune, M. Sadiq, Goncagül Serdaroğlu, Savaş Kaya, Samir Qourzal, Noureddine Barka, Mohamed Abdennouri
Topics & Concepts
AdsorptionRutileChemistryBrookiteCationic polymerizationTitanium dioxideMoleculeHOMO/LUMOMolecular dynamicsMolecular orbitalPhysical chemistryComputational chemistryMaterials sciencePhotocatalysisOrganic chemistryAnataseCatalysisMetallurgyNanomaterials for catalytic reactionsAdsorption and biosorption for pollutant removalElectrochemical Analysis and Applications