Determination of Optical Parameters of Films of PVA/TiO2/SiC and PVA/MgO/SiC Nanocomposites for Optoelectronics and UV-Detectors
Keywords:optical properties, nanocomposites, DFT, optoelectronics, UV-detectors
The optical properties of polyvinyl alcohol (PVA)–titanium oxide (TiO2)–silicon carbide (SiC) and (PVA)–magnesium oxide (MgO)–(SiC) nanocomposites are calculated, by using the Gaussian 09 and Gaussian view 5.0.8 programs on the basis of the density functional theory at B3LYP level with 6–31 G basis set. The results indicate that the absorbance, absorption coefficient, extinction coefficient, refractive index, imaginary and real dielectric constants, and optical conductivity of (PVA–TiO2–SiC) and (PVA–MgO–SiC) increase with the concentration of SiC nanoparticles. Both nanocomposites have high absorbance in the UV region and have indirect energy gaps 1 eV < Eg < 2.2 eV. This makes them useful for various applications in optoelectronics, photovoltaics, lasers, solar cells, sensors, photocatalytic devices, light filters, UV detectors, etc. with low cost, easy fabrication, and adaptability as compared with other devices.
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