Transition Metal Doped Boron Nitride Nanocages as High Performance Nonlinear Optical Materials: A DFT Study

Yasir Arshad, Maria Asghar, Muhammad Yar, Tamseela Bibi, Khurshid Ayub

2023Journal of Inorganic and Organometallic Polymers and Materials26 citationsDOI

Topics & Concepts

NanocagesDopingDensity functional theoryTransition metalMaterials scienceBand gapHeteroatomBoron nitrideWurtzite crystal structureScandiumCrystallographyChemistryNanotechnologyComputational chemistryZincRing (chemistry)MetallurgyOptoelectronicsCatalysisOrganic chemistryBiochemistryBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials ResearchEnergetic Materials and Combustion