Structural, Electronic, and UV–Vis Properties for Cd11-nZnnTe11with (n = 0,2–5,11) Nanostructures: A DFT and TDDFT Study
Hussein Hakim Abed, M. Merdan, Mudar Ahmed Abdulsattar, Hayder M. Abduljalil, Ahmed Hashim
Abstract
Hussein Hakim Abed, M. Merdan, Mudar Ahmed Abdulsattar, Hayder M. Abduljalil, Ahmed Hashim
Abstract
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Key concepts: Time-dependent density functional theory, Density functional theory, HOMO/LUMO, Nanostructure, Materials science, Chemistry, Binding energy, Band gap