DOI: 10.147042022/nq.20.8.NQ44956

Theoretical study utilize DFT tool of the nanocomposite PVA-SnO2-Ag and its preparation by liquid casting method withits application in the field of antibacterial

Fatema Sattar Jaber, Hayder M. Abduljalil

Abstract

The (PVA-SnO2-Ag) nanocomposite was created by incorporating silver nanoparticles (AgNPs) into the (PVA-SnO2) nanocomposite, which was made up of polyvinyl alcohol (PVA) and tin oxide nanoparticles (SnO2) The effect of adding (AgNPs) to the (PVA-SnO2) nanocomposite was studied using the solutioncasting method and various concentrations of (AgNPs), The experimental and theoretical results of optical and electronic property studies show that the calculated values of the direct and indirect energy gaps are in good agreement.The optical properties that have been studied for (PVA-SnO2-Ag), where it was found that all properties start to increase as the concentration of (AgNPs) increases, except the transmittance (T) and energy bandgap (Eg) decrease with the increase of the concentration of (AgNPs), Where it was observed that the absorption increases from 0.4 to 1.95 au, while the transmittance decreases from 0.8 to 0.45 au. The energy bandgap shrinks from 4.5 to 3.5 volts; theoretically, the energy gap shrinks from 6.1 to 3.28 eV. The (PVA-SnO2-Ag) nanocomposite has good antibacterial application.

Keywords

(PVA-SnO2-Ag) nanocomposite, polyvinyl alcohol (PVA), optical properties, electronic properties, energy gap.

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