Exploring the Characteristics of New Structure Based on Silicon Doped Organic Blend for Photonics and Electronics Applications

This work includes design of PVA/PEG/Si new structure and investigating the structural, electronic, thermal and optical characteristics to use in different photonics and optoelectronics fields. The structure, electronic and optical characteristics included the total energy, HOMO-LUMO energies, energy gap (E-g), ionization energy (IE), electronegativity (X), electron affinity (EA), electronic softness (S), electrophilic index (W), electron density (TD), density of states (DOS), electrostatic surfaces potential (ESP), dipole moment (D.M) and polarizability (alpha(ave)) and the relative IR-Spectra. The calculated thermal properties were included the thermal energy, enthalpy, specific heat and entropy. The results demonstrated that the PVA-PEG-Si structure has high absorption at wavelength near from 345 nm. Also, the energy gap of PVA-PEG-Si structure is 9.386 eV. The results of electronic and thermal properties of PVA-PEG-Si structure indicated to the good electronic and thermal parameters. Finally, the obtained results showed that the PVA-PEG-Si structure may be useful in various low cost and lightweight photonics, optoelectronics and high energy radiation shielding applications.