Theoretical investigation of phenol adsorption on functionalized graphene using DFT calculations for effective removal of organic contaminants from wastewater
Zohreh Ghahghaey, Malak Hekmati, Masoud Darvish Ganji
Topics & Concepts
GrapheneAdsorptionPhenolWastewaterMoleculeOxideChemical engineeringMaterials scienceSolventvan der Waals forceChemistryDensity functional theoryNanotechnologyOrganic chemistryComputational chemistryEnvironmental engineeringEnvironmental scienceEngineeringGraphene research and applicationsGraphene and Nanomaterials ApplicationsAdsorption and biosorption for pollutant removal