First Principles Calculations of Electronic, Structural and Optical Properties of (PMMA–ZrO 2 –Au) and (PMMA–Al 2 O 3 –Au) Nanocomposites for Optoelectronics Applications

作者: Angham Hazim , Hayder M. Abduljalil , Ahmed Hashim

DOI: 10.1007/S42341-020-00224-W

关键词: Molecular physicsElectronegativityHybrid functionalBand gapHOMO/LUMOElectronic structureMolecular electronic transitionIonization energyValence (chemistry)Materials science

摘要: … The polymer nanocomposites has been successfully used for various stable inorganic colloids free from aggregation, such asAl 2 O 3 , ZrO 2 and metal nanoparticles. As a tough …

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