Insights on selective Pb adsorption via O 2p orbit in UiO-66 containing rich-zirconium vacancies
Yu‐Hang Li, Shuai Gao, Lu Zhang, Hanchun Chen, Chong‐Chen Wang, Haodong Ji
Topics & Concepts
AdsorptionZirconiumMulliken population analysisChemistryVacancy defectAtom (system on chip)Electron transferPopulationDensity functional theoryComputational chemistryBinding energyCharge (physics)Materials scienceCrystallographyPhysical chemistryInorganic chemistryAtomic physicsEmbedded systemQuantum mechanicsDemographyPhysicsComputer scienceSociologyMetal-Organic Frameworks: Synthesis and ApplicationsRadioactive element chemistry and processingCovalent Organic Framework Applications