pH-Dependent adsorption of aromatic compounds on graphene oxide: An experimental, molecular dynamics simulation and density functional theory investigation
Huan Tang, Shuyan Zhang, Tinglin Huang, Fuyi Cui, Baoshan Xing
Topics & Concepts
AdsorptionSteric effectsChemistryGrapheneMolecular dynamicsDensity functional theoryHydrogen bondOxideChemical engineeringIsothermal processComputational chemistryInorganic chemistryChemical physicsMoleculeOrganic chemistryThermodynamicsEngineeringPhysicsGraphene research and applicationsGraphene and Nanomaterials ApplicationsNanopore and Nanochannel Transport Studies