A New Strategy of bi-Alkali Metal Doping to Design Boron Phosphide Nanocages of High Nonlinear Optical Response with Better Thermodynamic Stability
Rimsha Baloach, Khurshid Ayub, Tariq Mahmood, Anila Asif, Sobia Tabassum, Mazhar Amjad Gilani
Topics & Concepts
NanocagesDensity functional theoryHyperpolarizabilityMaterials scienceDopingHOMO/LUMOBoronAlkali metalPhosphideChemical physicsNanotechnologyComputational chemistryMoleculeMetalChemistryOptoelectronicsOrganic chemistryMetallurgyPolarizabilityCatalysisNonlinear Optical Materials ResearchBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials Studies