Influence of bi-alkali metals doping over Al12N12 nanocage on stability and optoelectronic properties: A DFT investigation
Muhammad Sohail, Faiqa Khaliq, Tariq Mahmood, Khurshid Ayub, Sobia Tabassum, Mazhar Amjad Gilani
Topics & Concepts
NanocagesHyperpolarizabilityDopingAlkali metalBand gapHOMO/LUMOAtom (system on chip)Density functional theoryMaterials scienceChemistryComputational chemistryOptoelectronicsMoleculeBiochemistryCatalysisEmbedded systemOrganic chemistryPolarizabilityComputer scienceNonlinear Optical Materials ResearchBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials Studies