Poly-methylmethacrylate (PMMA)was widely accepted material in dental and medical fieldsbecause of the excellent biocompatibility and easy fabrication. In current paper, study the geometrical parameters, electronic and optical properties of the (PMMA-ZrO 2 -Ag)nanostructures. The electronic properties include electrochemical hardness and electronic softness while the optical properties include absorbance, transmittance, absorption coefficient, extinction coefficient, refractive index, real and imaginary parts of dielectric constants and optical conductivity. The properties calculated by using Gaussian 0.9 program with Gaussian View 0.5 using density function theory (DFT) with local spin density approximation B3LYP level, 6-31G and STO-3D basis sets. The results showed that the addition of Ag nanoparticles lead to decrease the chemical hardness and increase in the softness. The optical properties for (PMMA-ZrO 2 -Ag) nanocomposites showed that the absorbance, absorption coefficient, extinction coefficient, refractive index, real and imaginary parts of dielectric constants and optical conductivity of (PMMA-Al 2 O 3 ) nanocomposites increase while the transmittance and energy band gap decrease with increase in Ag nanoparticles concentrations. The antibacterial results showed that the (PMMA-ZrO 2 -Ag) nanocomposites have good antibacterial for positive and negative gram organisms.
In this paper, the effect of adding Ag nanoparticles on the optimized geometrical parameters, electronic and optical properties of the (PMMA-Al 2 O 3 ) nanostructures for antibacterial application. The electronic properties included electrochemical hardness and electronic softness while the optical properties include absorbance, transmittance, absorption coefficient, extinction coefficient, refractive index, real and imaginary parts of dielectric constants and optical conductivity. The properties calculated by using Gaussian 0.9 program with Gaussian View 0.5 using density function theory (DFT) with local spin density approximation B3LYP level, 6-31G and STO-3D basis sets. The results showed that the addition of Ag nanoparticles lead to decrease the chemical hardness and increase in the softness. The optical properties for (PMMA-Al 2 O 3 -Ag) nanocomposites showed that the absorbance, absorption coefficient, extinction coefficient, refractive index, real and imaginary parts of dielectric constants and optical conductivity of (PMMA-Al 2 O 3 ) nanocomposites increase while the transmittance and energy band gap decrease with increase in Ag nanoparticles concentrations. The results of application showed that the (PMMA-Al 2 O 3 -Ag) nanocomposites have good antibacterial for positive and negative gram organisms bacteria.
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