Adsorption of per- and poly-fluoroalkyl substances (PFAS) on Ni: A DFT investigation
Mohamed S. Mohamed, Brian P. Chaplin, Ahmed A. Abokifa
Topics & Concepts
AdsorptionPerfluorooctanoic acidDensity functional theoryChemistrySolvationMoleculeInorganic chemistryAb initioComputational chemistryChemical engineeringPhysical chemistryOrganic chemistryEngineeringPer- and polyfluoroalkyl substances researchCarbon Dioxide Capture TechnologiesAtmospheric chemistry and aerosols