Unravelling the influence of surface functional groups and surface charge on heavy metal adsorption onto carbonaceous materials: An in-depth DFT study
Elizabeth Carvajal Flórez, Carlos Jimenez‐Orozco, Nancy Acelas
Topics & Concepts
AdsorptionElectronegativityX-ray photoelectron spectroscopyGibbs free energyMetalAqueous solutionMaterials scienceFourier transform infrared spectroscopyPhysical chemistrySurface chargeDensity functional theoryInorganic chemistryChemistryComputational chemistryOrganic chemistryChemical engineeringThermodynamicsMetallurgyPhysicsEngineeringAdsorption and biosorption for pollutant removalElectrochemical Analysis and ApplicationsHeavy metals in environment