Comparative study of cationic Nile blue and anionic methyl orange dyes adsorption in water on the (110) surface of metal chlorides by DFT and MD approaches
Wafaa Boumya, Malika Khnifira, Zohra Farid, M. Sadiq, A. Elhalil, Mounia Achak, Savaş Kaya, Noureddine Barka, Mohamed Abdennouri
Topics & Concepts
AdsorptionChemistryMoleculeDensity functional theoryMolecular orbitalMetalNile blueCharge densityComputational chemistryvan der Waals forceInteraction energyPhysical chemistryInorganic chemistryChemical physicsOrganic chemistryPhysicsQuantum mechanicsFluorescenceAdsorption and biosorption for pollutant removalNanomaterials for catalytic reactionsPigment Synthesis and Properties