Theoretical modification of C24 fullerene with single and multiple alkaline earth metal atoms for their potential use as NLO materials
Naveen Kosar, Hira Tahir, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood
Topics & Concepts
HyperpolarizabilityNanocagesDensity functional theoryAlkaline earth metalChemistryDopingFullereneMetalNatural bond orbitalAlkali metalCrystallographyPhysical chemistryComputational chemistryMaterials scienceMoleculePolarizabilityOrganic chemistryCatalysisOptoelectronicsBiochemistryFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene research and applications