First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study
Sundus Irshad, Faizan Ullah, Saima Khan, Ralf Ludwig, Tariq Mahmood, Khurshid Ayub
Topics & Concepts
HyperpolarizabilityNanoclustersMaterials scienceDensity functional theoryBoronDopingBand gapTransition metalHOMO/LUMOPhosphideIndium phosphidePhysical chemistryNanotechnologyChemical physicsOptoelectronicsComputational chemistryMetalChemistryMoleculePolarizabilityGallium arsenideOrganic chemistryMetallurgyCatalysisNonlinear Optical Materials ResearchBoron and Carbon Nanomaterials ResearchNonlinear Optical Materials Studies