First example of lanthanum as dopant on Al12N12 and Al12P12 nanocages for improved electronic and nonlinear optical properties with high stability
Faiqa Khaliq, Khurshid Ayub, Tariq Mahmood, Shabbir Muhammad, Sobia Tabassum, Mazhar Amjad Gilani
Topics & Concepts
NanocagesHyperpolarizabilityMaterials scienceNatural bond orbitalLanthanumDopingHOMO/LUMODopantDensity functional theoryBand gapElectronic structurePhysical chemistryChemical physicsComputational chemistryPolarizabilityInorganic chemistryPhysicsOptoelectronicsChemistryMoleculeOrganic chemistryCatalysisNonlinear Optical Materials ResearchBoron and Carbon Nanomaterials ResearchCrystal Structures and Properties