The enhancement of nonlinear optical properties of azulene-based nanographene by N atoms: a finishing touch
Ya Qing Zhang, Cuicui Yang, Jiaying Ma, Wei Quan Tian
Abstract
esu per heavy atom), and the further introduction of two N atoms at the two ends of the central azulene moiety of this nanographene results in a large static second hyperpolarizability while keeping the large static first hyperpolarizability.
Topics & Concepts
AzuleneHyperpolarizabilityHeteroatomDensity functional theoryMaterials scienceMoietyDopingBoronMolecular orbitalChemical physicsNonlinear opticalConjugated systemComputational chemistryMoleculeNanotechnologyOptoelectronicsChemistryPhotochemistryNonlinear systemRing (chemistry)Organic chemistryPolymerPhysicsPolarizabilityQuantum mechanicsComposite materialSynthesis and Properties of Aromatic CompoundsNonlinear Optical Materials ResearchFullerene Chemistry and Applications