Design and exploring the structure, optical and electronic characteristics of silicon doped PS/MoS2 structures for electronics Nanodevices

This work aims to explore the structure, electronic and spectral characteristics of silicon (Si) doped polystyrene (PS)/molybdenum disulphide (MoS2) structures to utilize in several electronics and optical nanodevices with great characteristics like few cost, excellent optical and electronic properties, high corrosion resistance and lightweight compare with other structures. The structure, optical and electronic characteristics include the total energy, energies (HOMO-LUMO), electronegativity, energy gap, ionization energy, electron affinity, electronic softness, electron density, electrophilic index, dipole moment, density of states, electrostatic surfaces potential and polarizability, UV- spectrum, Raman spectrum and IR-Spectrum. The results of characteristics of PS/MoS2/Si structures indicated that the PS/MoS2/Si structures have excellent electronic and optical characteristics which can be considered as a key to utilize in various photo-devices, lightweight electronics and nano-optoelectronics devices.