Demonstrating the Potential of Alkali Metal-Doped Cyclic C<sub>6</sub>O<sub>6</sub>Li<sub>6</sub> Organometallics as Electrides and High-Performance NLO Materials
Sunaina Wajid, Naveen Kosar, Faizan Ullah, Mazhar Amjad Gilani, Khurshid Ayub, Shabbir Muhammad, Tariq Mahmood
Abstract
. We assume that these newly designed organometallic electrides can be used in optical and optoelectronic fields for achieving better second-harmonic-generation-based NLO materials.
Topics & Concepts
HyperpolarizabilityAlkali metalDopingDensity functional theoryElectronChemistryMetalElectronic structureAbsorption spectroscopyPhysical chemistryMaterials scienceAnalytical Chemistry (journal)Computational chemistryMoleculeOptoelectronicsOpticsPhysicsOrganic chemistryPolarizabilityQuantum mechanicsNonlinear Optical Materials ResearchEnergetic Materials and CombustionOrganic and Molecular Conductors Research