Document Type : Research Paper

Authors

University of Babylon, College of Education for Pure Sciences, Department of Physics, Iraq.

Abstract

This work aims to investigate the structure, electronic and optical properties of PVA/SeO2/SiC nanostructures to employ in various electronic devices. Density functional method was applied using Gaussian 09 software and Gauss view 5.0 program. Analysis of (PVA-SeO2-SiC) (90Atom) nanacomposites were done at B3LYP level by using LanL2DZ level of DFT (Density Functional Theory). Synthesized of (PVA-SeO2-SiC) (90Atom) nanacomposites were characterized by UV–visible, FT-IR, proton NMR spectroscopes. Nanacomposites were designed and calculated for different properties, absorption spectra, dipole moment and frontier molecular orbitals, by calculating the HOMO/LUMO energy orbitals via density functional theory method. The final results indicated to the PVA/SeO2/SiC nanostructures may be useful in different electronics and optics fields.
This work aims to investigate the structure, electronic and optical properties of PVA/SeO2/SiC nanostructures to employ in various electronic devices. Density functional method was applied using Gaussian 09 software and Gauss view 5.0 program. Analysis of (PVA-SeO2-SiC) (90Atom) nanacomposites were done at B3LYP level by using LanL2DZ level of DFT (Density Functional Theory). Synthesized of (PVA-SeO2-SiC) (90Atom) nanacomposites were characterized by UV–visible, FT-IR, proton NMR spectroscopes. Nanacomposites were designed and calculated for different properties, absorption spectra, dipole moment and frontier molecular orbitals, by calculating the HOMO/LUMO energy orbitals via density functional theory method. The final results indicated to the PVA/SeO2/SiC nanostructures may be useful in different electronics and optics fields.

Keywords