Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?
Muhammad Ramzan Saeed Ashraf Janjua
Topics & Concepts
NanoclustersDensity functional theoryChemical physicsMaterials scienceTransition metalMolecular orbitalAdsorptionElectronic structureFermi levelBand gapNanotechnologyComputational chemistryChemistryPhysical chemistryMoleculePhysicsOrganic chemistryOptoelectronicsCatalysisElectronQuantum mechanicsNanocluster Synthesis and ApplicationsLayered Double Hydroxides Synthesis and ApplicationsCopper-based nanomaterials and applications