Correlating the charge density and structural fabrication of new organic dyes to create visible light harvesting materials with tunable NLO refining: insights from DFT
Abrar U. Hassan, Sajjad Hussain Sumrra, Muhammad Zubair, Ghulam Mustafa, Sadaf Noreen, Muhammad Imran
Topics & Concepts
HyperpolarizabilityPolarizabilityHOMO/LUMODensity functional theoryElectron affinity (data page)AbsorbanceChemistryTime-dependent density functional theoryIonization energyAbsorption (acoustics)DipoleAbsorption spectroscopyMaterials scienceAnalytical Chemistry (journal)Computational chemistryMoleculeIonizationIonOrganic chemistryOpticsPhysicsComposite materialChromatographyNonlinear Optical Materials ResearchOrganic Electronics and PhotovoltaicsPerovskite Materials and Applications