First theoretical framework of superalkali metals [M3X(M = Li, Na, k; X = O, S, F, N)] doped all-boron B38 nanocluster: A promising class of nonlinear optical materials for optoelectronic applications
Muhammad Usman Khan, Muhammad Ramzan Saeed Ashraf Janjua, Junaid Yaqoob, Riaz Hussain, Muhammad Khalid, Asad Syed, Abdallah M. Elgorban, Nouf S. S. Zaghloul
Topics & Concepts
PolarizabilityHyperpolarizabilityNatural bond orbitalDensity functional theoryMaterials scienceNanoclustersDopingIonization energyDendrimerMolecular orbitalChemistryComputational chemistryNanotechnologyIonizationOptoelectronicsMoleculeOrganic chemistryIonPolymer chemistryBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials ResearchFullerene Chemistry and Applications