1 Karshi State Technical University, Department of Chemical Engineering and biotechnology, Qarshi, Uzbekistan
2 PhD in Educational Sciences, University of La Sorbonne Paris V-France & Professor Researcher, University of Balamand (UOB), Saint Joseph University of Beirut (USJ), Lebanon
Corresponding Author: ismat.jahan@kstu.uz
DOI : https://doi.org/10.36647/GPISET/2026.01.B1.Ch009
Semiconductor polymer composite materials have been receiving considerable interest with regards to their potential use in flexible electronic devices, dielectric devices, energy storage devices, and optoelectronic devices. Polypropylene is a polymer commonly used due to its good chemical stability and mechanical strength. However, the wide bandgap of polypropylene does not allow its direct use in electronic devices. The incorporation of inorganic fillers such as strontium titanate is considered to be a good option to modify the electronic properties of the polymer. In the current study, the structural, electronic, and optical properties of the 7 wt% SrTiO3/PP composite system have been investigated using the Density Functional Theory (DFT) method with the CASTEP tool of Materials Studio software. The structural configurations of the composite system have been calculated to confirm the existence of good interface interactions between the polymer matrix and the ceramic particle. The electronic bandgap of the composite system is found to be decreased compared to the pristine polypropylene system. The partial DOS analysis of the composite system shows the contribution of the titanium 3d orbitals and the oxygen 2p orbitals to the Fermi level, which is helpful for the transfer of electrons between the interface. The optical properties such as the dielectric function, absorption coefficient, refractive index, reflectivity, optical conductivity, and energy loss function have been calculated over a range of 0 to 30 eV incident photon energy. The results show good optical absorption behavior of the composite system.
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Technoarete Publishers
978-93-92104-70-1
https://doi.org/10.36647/GPISET/2026.05.01.Book1
