Effect of oxygen functional groups on competitive adsorption of benzene and water on carbon materials: Density functional theory study
Haiqian Zhao, Ziyu Tang, Mingqi He, Xue Yang, Shiwei Lai, Kaibo An, Shuaishuai Han, Zhibin Qu, Wei Zhou, Zhonghua Wang
Topics & Concepts
AdsorptionBenzeneChemistryDensity functional theoryvan der Waals forceCarbon fibersFunctional groupActivated carbonHydrogen bondInorganic chemistryMoleculeOrganic chemistryChemical engineeringMaterials scienceComputational chemistryComposite materialPolymerEngineeringComposite numberAdsorption and biosorption for pollutant removalCarbon Nanotubes in CompositesGraphene research and applications