Analysis of Optical, Electronic and Spectroscopic properties of (Biopolymer-SiC) Nanocomposites For Electronics Applications

Abstract

I N THIS paper, studying the effect of increase the number of SiC nanoparticles atoms on the optimized geometrical parameters, electronic and spectroscopic properties of polyvinyl alcohol. The studied structures are (PVA)(43Atom), (PVA-SiC)(35 Atom) and (PVA-SiC)(51Atom) nanocomposites. The optimization parameters included both bonds and angles. The electronic and structural properties included the (energy gap, cohesive energy, ionization potential, electron affinity, chemical hardness, chemical softness, electronegativity, electrophilicity and density of states) as well as spectral properties, which included IR and UV-Visible. This study uses Gaussian 0.9 program with help of Gaussian View 0.5 using density function theory (DFT) with local spin density approximation B3LYP level and6-31Gbasis sets. The results showed that the number of atoms has a direct impact on all the properties of the molecules studied. The increase of number of atoms is caused changes in spectral of (PVA) which include shift in some bonds and change in the intensities. These changes attributed to interactions of nanoparticles (SiC) with (PVA). Also, from Ultra Violet and Visible spectrum observed that absorption increases by increasing the number of atoms, this is due to the excitations of donor level electrons to the conduction band at these energies. The energy gap of the nanocomposites reduces from 6.8568 eV for (PVA) to5.0715 eV for (PVA-SiC)(35Atom) and 4.5330 eV for (PVA-SiC)(51Atom). The total energies decreases with the increase the number of atoms forming the nanocomposites. The results showed that the nanocomposites can be used for different applications such as: solar cells, diodes, transistors, sensors, electronics gates, electronics devices.

Structural, A.C electrical and Optical properties of (Polyvinyl alcohol–Polyethylene Oxide–Aluminum Oxide) Nanocomposites for Piezoelectric Devices

“…Figure 9 shows the variations between absorbance edge (αhυ) 1/2 for (PVA-PEO-Al 2 O 3 ) nanocomposites as a function of photon energy. It can be indicated that the values of forbidden energy gap (allowed) of (PVA-PEO-Al 2 O 3 ) nanocomposites are decreased with increasing aluminum oxide nanoparticles concentration this is attributed to great localize levels in the forbidden energy gap, in addition to oxygen vacancies of Al 2 O 3 NPs which form non-stoichiometry [45][46][47]. To describe the electromagnet waves in the medium of propagation must be studied refractive index Fig.…”

Structural and Optical Properties of (PMMA/ZrO/Ag) New Nanocomposites for Optoelectronics and UV Detectors Applications

“…The composites and nanocomposites have huge applications as humidity sensors [28][29][30][31][32], radiation shielding [33][34][35][36][37][38], antibacterial [39,41] and thermal energy storage and release [42][43][44][45][46]. The adding of biomaterial, micro-or nanoparticles to the polymer or polymer blend aims to improve in optical properties [47][48][49][50][51][52][53][54], dielectric and electrical properties [55][56][57][58][59][60][61][62]. The aims of current paper, a study the impact of silver (Ag) nanoparticles on structural and optical of (PMMA-ZrO 2 ) nanocomposites.…”

Structural and Optical Properties of Novel (PS-Cr2O3/ ZnCoFe2O4) Nanocomposites For UV and Microwave Shielding

“…Physical properties like electronic band gap, electrical conductivity and resistivity, color or optical transparency, nonlinear absorption or emission, fluorescence, phosphorescence were reported [5]. In general, the aims of preparation of nanocomposites or composites and studying its physical properties is improvement the properties of the matrix [6][7][8][9][10][11][12][13][14][15]. This work aims at the preparation of (PS-Cr 2 O 3 / ZnCoFe 2 O 4 ) nanocomposites and studying its structural and optical properties for modern applications.…”