Design and tailoring the structural and spectroscopic characteristics of Sb2S3 nanostructures doped PMMA for flexible nanoelectronics and optical fields

In this work, the nanostructures of Sb2S3 doped transparent polymer have been designed as promising nanomaterials in various optical and nanoelectronics devices industries. The current work includes design of poly-methyl methacrylate/ antimony sulfide (Sb2S3) new nanostructures as a potential materials with excellent spectroscopic and electronic properties compared to other nanocomposites. The structure, spectroscopic and electronic characteristics of PMMA/Sb2S3 nanostructures were explored. The optical and electronic characteristics included the total energy, ionization potential, HOMO/LUMO energies, electron affinity, chemical hardness, electronegativity, chemical softness, electrophilicity, dipole moment, electrostatic surfaces potential (ESP), Raman and IR-Spectrums, and density of states. The results indicated that the PMMA/Sb2S3 nanostructures have wide absorption spectra and good spectroscopic properties. The absorption of PMMA shifted to the higher wavelength with adding of Sb2S3 nanostructures which can be functional in various optical fields. The band gap of PMMA reduces from 5.86 to 2.27 eV when adding of the Sb2S3 nanostructures which makes it appropriate for various nanooptics and nanoelectronics fields.