Highly accurate DFT investigation for triggering the ultra-strong static and dynamic nonlinear optical properties of superalkali doped aminated graphdiyne (NH2-GDY) donor-π-acceptor (D-π-A) quantum dots
Misbah Asif, Hasnain Sajid, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood
Topics & Concepts
ChemistryDensity functional theoryDelocalized electronHyperpolarizabilityHOMO/LUMODopingIonization energyAcceptorIonizationCrystallographyComputational chemistryPolarizabilityMaterials scienceOptoelectronicsCondensed matter physicsIonPhysicsMoleculeOrganic chemistryNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsBoron and Carbon Nanomaterials Research