Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response
Naveen Kosar, Kiran Shehzadi, Khurshid Ayub, Tariq Mahmood
Topics & Concepts
HyperpolarizabilityPolarizabilityDopingHOMO/LUMOMaterials scienceBand gapDensity functional theoryElectronic structureNatural bond orbitalPhysical chemistryComputational chemistryChemistryOptoelectronicsMoleculeOrganic chemistryNonlinear Optical Materials ResearchPorphyrin and Phthalocyanine ChemistryBoron and Carbon Nanomaterials Research