Density functional theory based studies on the adsorption of rare-earth ions from hydrated nitrate salt solutions on g-C3N4 monolayer surface

Ranjini Sarkar, Sweta Kumari, Tarun Kumar Kundu

2020Journal of Molecular Graphics and Modelling34 citationsDOI

Topics & Concepts

Delocalized electronDensity functional theoryChemistryAdsorptionHOMO/LUMOIonComputational chemistryVacancy defectMonolayerCrystallographyPhysical chemistryInorganic chemistryMoleculeOrganic chemistryBiochemistryAdvanced Photocatalysis Techniques2D Materials and ApplicationsMXene and MAX Phase Materials