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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

2020Optics & Laser Technology45 citationsDOI

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
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 | Litcius